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

Systemtic Name: (8-chloranyl-2-oxidanylidene-4-phenyl-1,3-dihydro-1,5-benzodiazepin-3-yl) N,N-diethylcarbamodithioate Openeye Name: (8-chloro-2-oxo-4-phenyl-1,3-dihydro-1,5-benzodiazepin-3-yl) N,N-diethylcarbamodithioate CAS Name: N,N-diethylcarbamodithioic acid (8-chloro-2-oxo-4-phenyl-1,3-dihydro-1,5-benzodiazepin-3-yl) ester IUPAC Name: (8-chloro-2-oxo-4-phenyl-1,3-dihydro-1,5-benzodiazepin-3-yl) N,N-diethylcarbamodithioate Traditional Name: N,N-diethylcarbamodithioic acid (8-chloro-2-keto-4-phenyl-1,3-dihydro-1,5-benzodiazepin-3-yl) ester Formula: C20H20ClN3OS2 MolecularWeight: 417.9753

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=S)SC1C(=NC2=C(C=C(C=C2)Cl)NC1=O)C3=CC=CC=C3

Isomeric SMILES

CCN(CC)C(=S)SC1C(=NC2=C(C=C(C=C2)Cl)NC1=O)C3=CC=CC=C3

InChI

InChI=1S/C20H20ClN3OS2/c1-3-24(4-2)20(26)27-18-17(13-8-6-5-7-9-13)22-15-11-10-14(21)12-16(15)23-19(18)25/h5-12,18H,3-4H2,1-2H3,(H,23,25)