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

Systemtic Name: [2-[(3-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] N-phenylpiperidine-1-carboximidothioate Openeye Name: [2-(3-chloro-2-methyl-anilino)-2-oxo-ethyl] N-phenylpiperidine-1-carboximidothioate CAS Name: N-phenyl-1-piperidinecarboximidothioic acid [2-(3-chloro-2-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-2-methylanilino)-2-oxoethyl] N-phenylpiperidine-1-carboximidothioate Traditional Name: N-phenylpiperidine-1-carboximidothioic acid [2-(3-chloro-2-methyl-anilino)-2-keto-ethyl] ester Formula: C21H24ClN3OS MolecularWeight: 401.95276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)CSC(=NC2=CC=CC=C2)N3CCCCC3

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)CSC(=NC2=CC=CC=C2)N3CCCCC3

InChI

InChI=1S/C21H24ClN3OS/c1-16-18(22)11-8-12-19(16)24-20(26)15-27-21(25-13-6-3-7-14-25)23-17-9-4-2-5-10-17/h2,4-5,8-12H,3,6-7,13-15H2,1H3,(H,24,26)