N-[1-[(7-chloranyl-1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)amino]-1-oxidanylidene-propan-2-yl]-4-thiophen-2-yl-butanamide

Systemtic Name: N-[1-[(7-chloranyl-1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)amino]-1-oxidanylidene-propan-2-yl]-4-thiophen-2-yl-butanamide Openeye Name: N-[2-[(7-chloro-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)amino]-1-methyl-2-oxo-ethyl]-4-(2-thienyl)butanamide CAS Name: N-[1-[(7-chloro-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)amino]-1-oxopropan-2-yl]-4-thiophen-2-ylbutanamide IUPAC Name: N-[1-[(7-chloro-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)amino]-1-oxopropan-2-yl]-4-thiophen-2-ylbutanamide Traditional Name: N-[2-[(7-chloro-2-keto-1-methyl-5-phenyl-3H-1,4-benzodiazepin-3-yl)amino]-2-keto-1-methyl-ethyl]-4-(2-thienyl)butyramide Formula: C27H27ClN4O3S MolecularWeight: 523.04628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1C(=O)N(C2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3)C)NC(=O)CCCC4=CC=CS4

Isomeric SMILES

CC(C(=O)NC1C(=O)N(C2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3)C)NC(=O)CCCC4=CC=CS4

InChI

InChI=1S/C27H27ClN4O3S/c1-17(29-23(33)12-6-10-20-11-7-15-36-20)26(34)31-25-27(35)32(2)22-14-13-19(28)16-21(22)24(30-25)18-8-4-3-5-9-18/h3-5,7-9,11,13-17,25H,6,10,12H2,1-2H3,(H,29,33)(H,31,34)