4-[(3-chloranyl-2-methyl-phenyl)carbamothioyl]-N-phenyl-piperazine-1-carboxamide

Systemtic Name: 4-[(3-chloranyl-2-methyl-phenyl)carbamothioyl]-N-phenyl-piperazine-1-carboxamide Openeye Name: 4-[(3-chloro-2-methyl-phenyl)carbamothioyl]-N-phenyl-piperazine-1-carboxamide CAS Name: 4-[(3-chloro-2-methylanilino)-sulfanylidenemethyl]-N-phenyl-1-piperazinecarboxamide IUPAC Name: 4-[(3-chloro-2-methylphenyl)carbamothioyl]-N-phenylpiperazine-1-carboxamide Traditional Name: 4-[(3-chloro-2-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=CC=C1Cl)NC(=S)N2CCN(CC2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=S)N2CCN(CC2)C(=O)NC3=CC=CC=C3

InChI

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