N-[(2S)-1-[(5-cyclohexyl-1-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl)amino]-1-oxidanylidene-propan-2-yl]thiophene-2-carboxamide

Systemtic Name: N-[(2S)-1-[(5-cyclohexyl-1-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl)amino]-1-oxidanylidene-propan-2-yl]thiophene-2-carboxamide Openeye Name: N-[(1S)-2-[(5-cyclohexyl-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl)amino]-1-methyl-2-oxo-ethyl]thiophene-2-carboxamide CAS Name: N-[(2S)-1-[(5-cyclohexyl-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl)amino]-1-oxopropan-2-yl]-2-thiophenecarboxamide IUPAC Name: N-[(2S)-1-[(5-cyclohexyl-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide Traditional Name: N-[(1S)-2-[(5-cyclohexyl-2-keto-1-methyl-3H-1,4-benzodiazepin-3-yl)amino]-2-keto-1-methyl-ethyl]thiophene-2-carboxamide Formula: C24H28N4O3S MolecularWeight: 452.56912

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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)C4=CC=CS4

Isomeric SMILES

C[C@@H](C(=O)NC1C(=O)N(C2=CC=CC=C2C(=N1)C3CCCCC3)C)NC(=O)C4=CC=CS4

InChI

InChI=1S/C24H28N4O3S/c1-15(25-23(30)19-13-8-14-32-19)22(29)27-21-24(31)28(2)18-12-7-6-11-17(18)20(26-21)16-9-4-3-5-10-16/h6-8,11-16,21H,3-5,9-10H2,1-2H3,(H,25,30)(H,27,29)/t15-,21?/m0/s1