4-(phenylmethyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carbothioamide

Systemtic Name: 4-(phenylmethyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carbothioamide Openeye Name: 4-benzyl-N-(3,4,5-trimethoxyphenyl)piperazine-1-carbothioamide CAS Name: 4-(phenylmethyl)-N-(3,4,5-trimethoxyphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-benzyl-N-(3,4,5-trimethoxyphenyl)piperazine-1-carbothioamide Traditional Name: 4-benzyl-N-(3,4,5-trimethoxyphenyl)piperazine-1-carbothioamide Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC(=S)N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC(=S)N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H27N3O3S/c1-25-18-13-17(14-19(26-2)20(18)27-3)22-21(28)24-11-9-23(10-12-24)15-16-7-5-4-6-8-16/h4-8,13-14H,9-12,15H2,1-3H3,(H,22,28)