N-[1-[(5-cyclohexyl-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-[(5-cyclohexyl-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-[(5-cyclohexyl-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl)amino]-1-methyl-2-oxo-ethyl]-4-(2-thienyl)butanamide CAS Name: N-[1-[(5-cyclohexyl-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl)amino]-1-oxopropan-2-yl]-4-thiophen-2-ylbutanamide IUPAC Name: N-[1-[(5-cyclohexyl-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl)amino]-1-oxopropan-2-yl]-4-thiophen-2-ylbutanamide Traditional Name: N-[2-[(5-cyclohexyl-2-keto-1-methyl-3H-1,4-benzodiazepin-3-yl)amino]-2-keto-1-methyl-ethyl]-4-(2-thienyl)butyramide Formula: C27H34N4O3S MolecularWeight: 494.64886

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1C(=O)N(C2=CC=CC=C2C(=N1)C3CCCCC3)C)NC(=O)CCCC4=CC=CS4

Isomeric SMILES

CC(C(=O)NC1C(=O)N(C2=CC=CC=C2C(=N1)C3CCCCC3)C)NC(=O)CCCC4=CC=CS4

InChI

InChI=1S/C27H34N4O3S/c1-18(28-23(32)16-8-12-20-13-9-17-35-20)26(33)30-25-27(34)31(2)22-15-7-6-14-21(22)24(29-25)19-10-4-3-5-11-19/h6-7,9,13-15,17-19,25H,3-5,8,10-12,16H2,1-2H3,(H,28,32)(H,30,33)