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

Systemtic Name: N-[1-[[7-bromanyl-5-(2-fluorophenyl)-1-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]amino]-1-oxidanylidene-propan-2-yl]-4-thiophen-2-yl-butanamide Openeye Name: N-[2-[[7-bromo-5-(2-fluorophenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]amino]-1-methyl-2-oxo-ethyl]-4-(2-thienyl)butanamide CAS Name: N-[1-[[7-bromo-5-(2-fluorophenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]amino]-1-oxopropan-2-yl]-4-thiophen-2-ylbutanamide IUPAC Name: N-[1-[[7-bromo-5-(2-fluorophenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]amino]-1-oxopropan-2-yl]-4-thiophen-2-ylbutanamide Traditional Name: N-[2-[[7-bromo-5-(2-fluorophenyl)-2-keto-1-methyl-3H-1,4-benzodiazepin-3-yl]amino]-2-keto-1-methyl-ethyl]-4-(2-thienyl)butyramide Formula: C27H26BrFN4O3S MolecularWeight: 585.487743

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1C(=O)N(C2=C(C=C(C=C2)Br)C(=N1)C3=CC=CC=C3F)C)NC(=O)CCCC4=CC=CS4

Isomeric SMILES

CC(C(=O)NC1C(=O)N(C2=C(C=C(C=C2)Br)C(=N1)C3=CC=CC=C3F)C)NC(=O)CCCC4=CC=CS4

InChI

InChI=1S/C27H26BrFN4O3S/c1-16(30-23(34)11-5-7-18-8-6-14-37-18)26(35)32-25-27(36)33(2)22-13-12-17(28)15-20(22)24(31-25)19-9-3-4-10-21(19)29/h3-4,6,8-10,12-16,25H,5,7,11H2,1-2H3,(H,30,34)(H,32,35)