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

Systemtic Name: N-[1-[(1-methyl-2-oxidanylidene-5-thiophen-2-yl-3H-1,4-benzodiazepin-3-yl)amino]-1-oxidanylidene-propan-2-yl]-4-thiophen-2-yl-butanamide Openeye Name: N-[1-methyl-2-[[1-methyl-2-oxo-5-(2-thienyl)-3H-1,4-benzodiazepin-3-yl]amino]-2-oxo-ethyl]-4-(2-thienyl)butanamide CAS Name: N-[1-[(1-methyl-2-oxo-5-thiophen-2-yl-3H-1,4-benzodiazepin-3-yl)amino]-1-oxopropan-2-yl]-4-thiophen-2-ylbutanamide IUPAC Name: N-[1-[(1-methyl-2-oxo-5-thiophen-2-yl-3H-1,4-benzodiazepin-3-yl)amino]-1-oxopropan-2-yl]-4-thiophen-2-ylbutanamide Traditional Name: N-[2-keto-2-[[2-keto-1-methyl-5-(2-thienyl)-3H-1,4-benzodiazepin-3-yl]amino]-1-methyl-ethyl]-4-(2-thienyl)butyramide Formula: C25H26N4O3S2 MolecularWeight: 494.62894

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1C(=O)N(C2=CC=CC=C2C(=N1)C3=CC=CS3)C)NC(=O)CCCC4=CC=CS4

Isomeric SMILES

CC(C(=O)NC1C(=O)N(C2=CC=CC=C2C(=N1)C3=CC=CS3)C)NC(=O)CCCC4=CC=CS4

InChI

InChI=1S/C25H26N4O3S2/c1-16(26-21(30)13-5-8-17-9-6-14-33-17)24(31)28-23-25(32)29(2)19-11-4-3-10-18(19)22(27-23)20-12-7-15-34-20/h3-4,6-7,9-12,14-16,23H,5,8,13H2,1-2H3,(H,26,30)(H,28,31)