(phenylmethyl) N-(1-methyl-5-phenyl-2-sulfanylidene-3H-1,4-benzodiazepin-3-yl)carbamate

Systemtic Name: (phenylmethyl) N-(1-methyl-5-phenyl-2-sulfanylidene-3H-1,4-benzodiazepin-3-yl)carbamate Openeye Name: benzyl N-(1-methyl-5-phenyl-2-thioxo-3H-1,4-benzodiazepin-3-yl)carbamate CAS Name: N-(1-methyl-5-phenyl-2-sulfanylidene-3H-1,4-benzodiazepin-3-yl)carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-(1-methyl-5-phenyl-2-sulfanylidene-3H-1,4-benzodiazepin-3-yl)carbamate Traditional Name: N-(1-methyl-5-phenyl-2-thioxo-3H-1,4-benzodiazepin-3-yl)carbamic acid benzyl ester Formula: C24H21N3O2S MolecularWeight: 415.50744

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=NC(C1=S)NC(=O)OCC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CN1C2=CC=CC=C2C(=NC(C1=S)NC(=O)OCC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H21N3O2S/c1-27-20-15-9-8-14-19(20)21(18-12-6-3-7-13-18)25-22(23(27)30)26-24(28)29-16-17-10-4-2-5-11-17/h2-15,22H,16H2,1H3,(H,26,28)