2-[5-[[3-[(3-azanyl-3-methyl-butanoyl)amino]-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-1-yl]methyl]-3-bromanyl-1-benzothiophen-2-yl]-N-ethyl-benzamide

Systemtic Name: 2-[5-[[3-[(3-azanyl-3-methyl-butanoyl)amino]-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-1-yl]methyl]-3-bromanyl-1-benzothiophen-2-yl]-N-ethyl-benzamide Openeye Name: 2-[5-[[3-[(3-amino-3-methyl-butanoyl)amino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]methyl]-3-bromo-benzothiophen-2-yl]-N-ethyl-benzamide CAS Name: 2-[5-[[3-[(3-amino-3-methyl-1-oxobutyl)amino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]methyl]-3-bromo-1-benzothiophen-2-yl]-N-ethylbenzamide IUPAC Name: 2-[5-[[3-[(3-amino-3-methylbutanoyl)amino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]methyl]-3-bromo-1-benzothiophen-2-yl]-N-ethylbenzamide Traditional Name: 2-[5-[[3-[(3-amino-3-methyl-butanoyl)amino]-2-keto-4,5-dihydro-3H-1-benzazepin-1-yl]methyl]-3-bromo-benzothiophen-2-yl]-N-ethyl-benzamide Formula: C33H35BrN4O3S MolecularWeight: 647.625

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1=CC=CC=C1C2=C(C3=C(S2)C=CC(=C3)CN4C5=CC=CC=C5CCC(C4=O)NC(=O)CC(C)(C)N)Br

Isomeric SMILES

CCNC(=O)C1=CC=CC=C1C2=C(C3=C(S2)C=CC(=C3)CN4C5=CC=CC=C5CCC(C4=O)NC(=O)CC(C)(C)N)Br

InChI

InChI=1S/C33H35BrN4O3S/c1-4-36-31(40)23-11-7-6-10-22(23)30-29(34)24-17-20(13-16-27(24)42-30)19-38-26-12-8-5-9-21(26)14-15-25(32(38)41)37-28(39)18-33(2,3)35/h5-13,16-17,25H,4,14-15,18-19,35H2,1-3H3,(H,36,40)(H,37,39)