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

Systemtic Name: 4-(1,3-benzoxazol-2-yl)-N-(2,4-dimethoxyphenyl)piperidine-1-carbothioamide Openeye Name: 4-(1,3-benzoxazol-2-yl)-N-(2,4-dimethoxyphenyl)piperidine-1-carbothioamide CAS Name: 4-(1,3-benzoxazol-2-yl)-N-(2,4-dimethoxyphenyl)-1-piperidinecarbothioamide IUPAC Name: 4-(1,3-benzoxazol-2-yl)-N-(2,4-dimethoxyphenyl)piperidine-1-carbothioamide Traditional Name: 4-(1,3-benzoxazol-2-yl)-N-(2,4-dimethoxyphenyl)piperidine-1-carbothioamide Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O3S/c1-25-15-7-8-17(19(13-15)26-2)23-21(28)24-11-9-14(10-12-24)20-22-16-5-3-4-6-18(16)27-20/h3-8,13-14H,9-12H2,1-2H3,(H,23,28)