4-[(3-chloranyl-4-methyl-phenyl)carbamothioyl]-N-phenyl-piperazine-1-carboxamide

Systemtic Name: 4-[(3-chloranyl-4-methyl-phenyl)carbamothioyl]-N-phenyl-piperazine-1-carboxamide Openeye Name: 4-[(3-chloro-4-methyl-phenyl)carbamothioyl]-N-phenyl-piperazine-1-carboxamide CAS Name: 4-[(3-chloro-4-methylanilino)-sulfanylidenemethyl]-N-phenyl-1-piperazinecarboxamide IUPAC Name: 4-[(3-chloro-4-methylphenyl)carbamothioyl]-N-phenylpiperazine-1-carboxamide Traditional Name: 4-[(3-chloro-4-methyl-phenyl)thiocarbamoyl]-N-phenyl-piperazine-1-carboxamide Formula: C19H21ClN4OS MolecularWeight: 388.91424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)N2CCN(CC2)C(=O)NC3=CC=CC=C3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)N2CCN(CC2)C(=O)NC3=CC=CC=C3)Cl

InChI

InChI=1S/C19H21ClN4OS/c1-14-7-8-16(13-17(14)20)22-19(26)24-11-9-23(10-12-24)18(25)21-15-5-3-2-4-6-15/h2-8,13H,9-12H2,1H3,(H,21,25)(H,22,26)