[2-[(3-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-methyl-N-phenyl-piperazine-1-carboximidothioate

Systemtic Name: [2-[(3-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-methyl-N-phenyl-piperazine-1-carboximidothioate Openeye Name: [2-(3-chloro-2-methyl-anilino)-2-oxo-ethyl] 4-methyl-N-phenyl-piperazine-1-carboximidothioate CAS Name: 4-methyl-N-phenyl-1-piperazinecarboximidothioic acid [2-(3-chloro-2-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-2-methylanilino)-2-oxoethyl] 4-methyl-N-phenylpiperazine-1-carboximidothioate Traditional Name: 4-methyl-N-phenyl-piperazine-1-carboximidothioic acid [2-(3-chloro-2-methyl-anilino)-2-keto-ethyl] ester Formula: C21H25ClN4OS MolecularWeight: 416.9674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)CSC(=NC2=CC=CC=C2)N3CCN(CC3)C

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)CSC(=NC2=CC=CC=C2)N3CCN(CC3)C

InChI

InChI=1S/C21H25ClN4OS/c1-16-18(22)9-6-10-19(16)24-20(27)15-28-21(23-17-7-4-3-5-8-17)26-13-11-25(2)12-14-26/h3-10H,11-15H2,1-2H3,(H,24,27)