4-(1,3-benzoxazol-2-yl)-N-(3,5-dimethylphenyl)piperidine-1-carbothioamide

Systemtic Name: 4-(1,3-benzoxazol-2-yl)-N-(3,5-dimethylphenyl)piperidine-1-carbothioamide Openeye Name: 4-(1,3-benzoxazol-2-yl)-N-(3,5-dimethylphenyl)piperidine-1-carbothioamide CAS Name: 4-(1,3-benzoxazol-2-yl)-N-(3,5-dimethylphenyl)-1-piperidinecarbothioamide IUPAC Name: 4-(1,3-benzoxazol-2-yl)-N-(3,5-dimethylphenyl)piperidine-1-carbothioamide Traditional Name: 4-(1,3-benzoxazol-2-yl)-N-(3,5-dimethylphenyl)piperidine-1-carbothioamide Formula: C21H23N3OS MolecularWeight: 365.49182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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