2-[5-[[3-[(2-azanyl-2-methyl-propanoyl)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-[(2-azanyl-2-methyl-propanoyl)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-[(2-amino-2-methyl-propanoyl)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-[(2-amino-2-methyl-1-oxopropyl)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-[(2-amino-2-methylpropanoyl)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-[(2-amino-2-methyl-propanoyl)amino]-2-keto-4,5-dihydro-3H-1-benzazepin-1-yl]methyl]-3-bromo-benzothiophen-2-yl]-N-ethyl-benzamide Formula: C32H33BrN4O3S MolecularWeight: 633.59842

Click to see the large picture

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)C(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)C(C)(C)N)Br

InChI

InChI=1S/C32H33BrN4O3S/c1-4-35-29(38)22-11-7-6-10-21(22)28-27(33)23-17-19(13-16-26(23)41-28)18-37-25-12-8-5-9-20(25)14-15-24(30(37)39)36-31(40)32(2,3)34/h5-13,16-17,24H,4,14-15,18,34H2,1-3H3,(H,35,38)(H,36,40)