(3-azanyl-3-oxidanylidene-propyl) 2-[2-[(5-chloranyl-2-methoxy-phenyl)amino]-2-oxidanylidene-ethyl]-3-oxidanylidene-piperazine-1-carbodithioate

Systemtic Name: (3-azanyl-3-oxidanylidene-propyl) 2-[2-[(5-chloranyl-2-methoxy-phenyl)amino]-2-oxidanylidene-ethyl]-3-oxidanylidene-piperazine-1-carbodithioate Openeye Name: (3-amino-3-oxo-propyl) 2-[2-(5-chloro-2-methoxy-anilino)-2-oxo-ethyl]-3-oxo-piperazine-1-carbodithioate CAS Name: 2-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-3-oxo-1-piperazinecarbodithioic acid (3-amino-3-oxopropyl) ester IUPAC Name: (3-amino-3-oxopropyl) 2-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-3-oxopiperazine-1-carbodithioate Traditional Name: 2-[2-(5-chloro-2-methoxy-anilino)-2-keto-ethyl]-3-keto-piperazine-1-carbodithioic acid (3-amino-3-keto-propyl) ester Formula: C17H21ClN4O4S2 MolecularWeight: 444.95604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)NC(=O)CC2C(=O)NCCN2C(=S)SCCC(=O)N

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)NC(=O)CC2C(=O)NCCN2C(=S)SCCC(=O)N

InChI

InChI=1S/C17H21ClN4O4S2/c1-26-13-3-2-10(18)8-11(13)21-15(24)9-12-16(25)20-5-6-22(12)17(27)28-7-4-14(19)23/h2-3,8,12H,4-7,9H2,1H3,(H2,19,23)(H,20,25)(H,21,24)