(phenylmethyl) N-[9-methyl-5-(methylsulfanylmethyl)-2-oxidanylidene-3,4-dihydro-1,4-benzodiazepin-3-yl]carbamate

Systemtic Name: (phenylmethyl) N-[9-methyl-5-(methylsulfanylmethyl)-2-oxidanylidene-3,4-dihydro-1,4-benzodiazepin-3-yl]carbamate Openeye Name: benzyl N-[9-methyl-5-(methylsulfanylmethyl)-2-oxo-3,4-dihydro-1,4-benzodiazepin-3-yl]carbamate CAS Name: N-[9-methyl-5-[(methylthio)methyl]-2-oxo-3,4-dihydro-1,4-benzodiazepin-3-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[9-methyl-5-(methylsulfanylmethyl)-2-oxo-3,4-dihydro-1,4-benzodiazepin-3-yl]carbamate Traditional Name: N-[2-keto-9-methyl-5-[(methylthio)methyl]-3,4-dihydro-1,4-benzodiazepin-3-yl]carbamic acid benzyl ester Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C(NC(C(=O)N=C12)NC(=O)OCC3=CC=CC=C3)CSC

Isomeric SMILES

CC1=CC=CC2=C(NC(C(=O)N=C12)NC(=O)OCC3=CC=CC=C3)CSC

InChI

InChI=1S/C20H21N3O3S/c1-13-7-6-10-15-16(12-27-2)21-18(19(24)22-17(13)15)23-20(25)26-11-14-8-4-3-5-9-14/h3-10,18,21H,11-12H2,1-2H3,(H,23,25)