2-[5-[[3-[(3-azanyl-3-methyl-butanoyl)amino]-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-1-yl]methyl]-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]-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]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]-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]-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]benzothiophen-2-yl]-N-ethyl-benzamide Formula: C33H36N4O3S MolecularWeight: 568.72894

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1=CC=CC=C1C2=CC3=C(S2)C=CC(=C3)CN4C5=CC=CC=C5CCC(C4=O)NC(=O)CC(C)(C)N

Isomeric SMILES

CCNC(=O)C1=CC=CC=C1C2=CC3=C(S2)C=CC(=C3)CN4C5=CC=CC=C5CCC(C4=O)NC(=O)CC(C)(C)N

InChI

InChI=1S/C33H36N4O3S/c1-4-35-31(39)25-11-7-6-10-24(25)29-18-23-17-21(13-16-28(23)41-29)20-37-27-12-8-5-9-22(27)14-15-26(32(37)40)36-30(38)19-33(2,3)34/h5-13,16-18,26H,4,14-15,19-20,34H2,1-3H3,(H,35,39)(H,36,38)