(2-oxidanylidene-4-phenyl-1,3-dihydro-1,5-benzodiazepin-3-yl) N,N-diethylcarbamodithioate

Systemtic Name: (2-oxidanylidene-4-phenyl-1,3-dihydro-1,5-benzodiazepin-3-yl) N,N-diethylcarbamodithioate Openeye Name: (2-oxo-4-phenyl-1,3-dihydro-1,5-benzodiazepin-3-yl) N,N-diethylcarbamodithioate CAS Name: N,N-diethylcarbamodithioic acid (2-oxo-4-phenyl-1,3-dihydro-1,5-benzodiazepin-3-yl) ester IUPAC Name: (2-oxo-4-phenyl-1,3-dihydro-1,5-benzodiazepin-3-yl) N,N-diethylcarbamodithioate Traditional Name: N,N-diethylcarbamodithioic acid (2-keto-4-phenyl-1,3-dihydro-1,5-benzodiazepin-3-yl) ester Formula: C20H21N3OS2 MolecularWeight: 383.53024

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=S)SC1C(=NC2=CC=CC=C2NC1=O)C3=CC=CC=C3

Isomeric SMILES

CCN(CC)C(=S)SC1C(=NC2=CC=CC=C2NC1=O)C3=CC=CC=C3

InChI

InChI=1S/C20H21N3OS2/c1-3-23(4-2)20(25)26-18-17(14-10-6-5-7-11-14)21-15-12-8-9-13-16(15)22-19(18)24/h5-13,18H,3-4H2,1-2H3,(H,22,24)