4-(1,3-benzoxazol-2-yl)-N-(2,3-dimethylphenyl)piperidine-1-carbothioamide

Systemtic Name: 4-(1,3-benzoxazol-2-yl)-N-(2,3-dimethylphenyl)piperidine-1-carbothioamide Openeye Name: 4-(1,3-benzoxazol-2-yl)-N-(2,3-dimethylphenyl)piperidine-1-carbothioamide CAS Name: 4-(1,3-benzoxazol-2-yl)-N-(2,3-dimethylphenyl)-1-piperidinecarbothioamide IUPAC Name: 4-(1,3-benzoxazol-2-yl)-N-(2,3-dimethylphenyl)piperidine-1-carbothioamide Traditional Name: 4-(1,3-benzoxazol-2-yl)-N-(2,3-dimethylphenyl)piperidine-1-carbothioamide Formula: C21H23N3OS MolecularWeight: 365.49182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=S)N2CCC(CC2)C3=NC4=CC=CC=C4O3)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=S)N2CCC(CC2)C3=NC4=CC=CC=C4O3)C

InChI

InChI=1S/C21H23N3OS/c1-14-6-5-8-17(15(14)2)23-21(26)24-12-10-16(11-13-24)20-22-18-7-3-4-9-19(18)25-20/h3-9,16H,10-13H2,1-2H3,(H,23,26)