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

Systemtic Name: N-[(2S)-1-[(1-methyl-2-oxidanylidene-5-thiophen-2-yl-3H-1,4-benzodiazepin-3-yl)amino]-1-oxidanylidene-propan-2-yl]thiophene-2-carboxamide Openeye Name: N-[(1S)-1-methyl-2-[[1-methyl-2-oxo-5-(2-thienyl)-3H-1,4-benzodiazepin-3-yl]amino]-2-oxo-ethyl]thiophene-2-carboxamide CAS Name: N-[(2S)-1-[(1-methyl-2-oxo-5-thiophen-2-yl-3H-1,4-benzodiazepin-3-yl)amino]-1-oxopropan-2-yl]-2-thiophenecarboxamide IUPAC Name: N-[(2S)-1-[(1-methyl-2-oxo-5-thiophen-2-yl-3H-1,4-benzodiazepin-3-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide Traditional Name: N-[(1S)-2-keto-2-[[2-keto-1-methyl-5-(2-thienyl)-3H-1,4-benzodiazepin-3-yl]amino]-1-methyl-ethyl]thiophene-2-carboxamide Formula: C22H20N4O3S2 MolecularWeight: 452.5492

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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)C4=CC=CS4

Isomeric SMILES

C[C@@H](C(=O)NC1C(=O)N(C2=CC=CC=C2C(=N1)C3=CC=CS3)C)NC(=O)C4=CC=CS4

InChI

InChI=1S/C22H20N4O3S2/c1-13(23-21(28)17-10-6-12-31-17)20(27)25-19-22(29)26(2)15-8-4-3-7-14(15)18(24-19)16-9-5-11-30-16/h3-13,19H,1-2H3,(H,23,28)(H,25,27)/t13-,19?/m0/s1