N-(2-methylphenyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carbothioamide

Systemtic Name: N-(2-methylphenyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carbothioamide Openeye Name: N-(o-tolyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carbothioamide CAS Name: N-(2-methylphenyl)-4-[(2,3,4-trimethoxyphenyl)methyl]-1-piperazinecarbothioamide IUPAC Name: N-(2-methylphenyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carbothioamide Traditional Name: N-(o-tolyl)-4-(2,3,4-trimethoxybenzyl)piperazine-1-carbothioamide Formula: C22H29N3O3S MolecularWeight: 415.54896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)N2CCN(CC2)CC3=C(C(=C(C=C3)OC)OC)OC

Isomeric SMILES

CC1=CC=CC=C1NC(=S)N2CCN(CC2)CC3=C(C(=C(C=C3)OC)OC)OC

InChI

InChI=1S/C22H29N3O3S/c1-16-7-5-6-8-18(16)23-22(29)25-13-11-24(12-14-25)15-17-9-10-19(26-2)21(28-4)20(17)27-3/h5-10H,11-15H2,1-4H3,(H,23,29)