[2-[(2-methyl-3-phenyl-3H-1,5-benzodiazepin-4-yl)amino]-2-oxidanylidene-ethyl] piperidine-1-carbodithioate

Systemtic Name: [2-[(2-methyl-3-phenyl-3H-1,5-benzodiazepin-4-yl)amino]-2-oxidanylidene-ethyl] piperidine-1-carbodithioate Openeye Name: [2-[(2-methyl-3-phenyl-3H-1,5-benzodiazepin-4-yl)amino]-2-oxo-ethyl] piperidine-1-carbodithioate CAS Name: 1-piperidinecarbodithioic acid [2-[(2-methyl-3-phenyl-3H-1,5-benzodiazepin-4-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-methyl-3-phenyl-3H-1,5-benzodiazepin-4-yl)amino]-2-oxoethyl] piperidine-1-carbodithioate Traditional Name: piperidine-1-carbodithioic acid [2-keto-2-[(2-methyl-3-phenyl-3H-1,5-benzodiazepin-4-yl)amino]ethyl] ester Formula: C24H26N4OS2 MolecularWeight: 450.61944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N=C(C1C3=CC=CC=C3)NC(=O)CSC(=S)N4CCCCC4

Isomeric SMILES

CC1=NC2=CC=CC=C2N=C(C1C3=CC=CC=C3)NC(=O)CSC(=S)N4CCCCC4

InChI

InChI=1S/C24H26N4OS2/c1-17-22(18-10-4-2-5-11-18)23(26-20-13-7-6-12-19(20)25-17)27-21(29)16-31-24(30)28-14-8-3-9-15-28/h2,4-7,10-13,22H,3,8-9,14-16H2,1H3,(H,26,27,29)