N1'-[(3S)-1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]-N1-(thiophen-2-ylmethyl)cyclopentane-1,1-dicarboxamide

Systemtic Name: N1'-[(3S)-1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]-N1-(thiophen-2-ylmethyl)cyclopentane-1,1-dicarboxamide Openeye Name: N1'-[(3S)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-N1-(2-thienylmethyl)cyclopentane-1,1-dicarboxamide CAS Name: N1'-[(3S)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-N1-(thiophen-2-ylmethyl)cyclopentane-1,1-dicarboxamide IUPAC Name: 1-N'-[(3S)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-1-N-(thiophen-2-ylmethyl)cyclopentane-1,1-dicarboxamide Traditional Name: N'-[(3S)-2-keto-1-methyl-5-phenyl-3H-1,4-benzodiazepin-3-yl]-N-(2-thenyl)cyclopentane-1,1-dicarboxamide Formula: C28H28N4O3S MolecularWeight: 500.61192

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)C3(CCCC3)C(=O)NCC4=CC=CS4)C5=CC=CC=C5

Isomeric SMILES

CN1C2=CC=CC=C2C(=N[C@@H](C1=O)NC(=O)C3(CCCC3)C(=O)NCC4=CC=CS4)C5=CC=CC=C5

InChI

InChI=1S/C28H28N4O3S/c1-32-22-14-6-5-13-21(22)23(19-10-3-2-4-11-19)30-24(25(32)33)31-27(35)28(15-7-8-16-28)26(34)29-18-20-12-9-17-36-20/h2-6,9-14,17,24H,7-8,15-16,18H2,1H3,(H,29,34)(H,31,35)/t24-/m1/s1