4-(1,3-benzoxazol-2-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-1-carbothioamide

Systemtic Name: 4-(1,3-benzoxazol-2-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-1-carbothioamide Openeye Name: 4-(1,3-benzoxazol-2-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-1-carbothioamide CAS Name: 4-(1,3-benzoxazol-2-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-piperidinecarbothioamide IUPAC Name: 4-(1,3-benzoxazol-2-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-1-carbothioamide Traditional Name: 4-(1,3-benzoxazol-2-yl)-N-homoveratryl-piperidine-1-carbothioamide Formula: C23H27N3O3S MolecularWeight: 425.54378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=S)N2CCC(CC2)C3=NC4=CC=CC=C4O3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=S)N2CCC(CC2)C3=NC4=CC=CC=C4O3)OC

InChI

InChI=1S/C23H27N3O3S/c1-27-20-8-7-16(15-21(20)28-2)9-12-24-23(30)26-13-10-17(11-14-26)22-25-18-5-3-4-6-19(18)29-22/h3-8,15,17H,9-14H2,1-2H3,(H,24,30)