N-(2-chloranyl-4,6-dimethyl-phenyl)-4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidine-1-carbothioamide

Systemtic Name: N-(2-chloranyl-4,6-dimethyl-phenyl)-4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidine-1-carbothioamide Openeye Name: N-(2-chloro-4,6-dimethyl-phenyl)-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carbothioamide CAS Name: N-(2-chloro-4,6-dimethylphenyl)-4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidinecarbothioamide IUPAC Name: N-(2-chloro-4,6-dimethylphenyl)-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carbothioamide Traditional Name: N-(2-chloro-4,6-dimethyl-phenyl)-4-(2-keto-3H-benzimidazol-1-yl)piperidine-1-carbothioamide Formula: C21H23ClN4OS MolecularWeight: 414.95152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)NC(=S)N2CCC(CC2)N3C4=CC=CC=C4NC3=O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)NC(=S)N2CCC(CC2)N3C4=CC=CC=C4NC3=O)C

InChI

InChI=1S/C21H23ClN4OS/c1-13-11-14(2)19(16(22)12-13)24-21(28)25-9-7-15(8-10-25)26-18-6-4-3-5-17(18)23-20(26)27/h3-6,11-12,15H,7-10H2,1-2H3,(H,23,27)(H,24,28)