N-(2,5-dimethoxyphenyl)-4-(1-phenylethyl)piperazine-1-carbothioamide

Systemtic Name: N-(2,5-dimethoxyphenyl)-4-(1-phenylethyl)piperazine-1-carbothioamide Openeye Name: N-(2,5-dimethoxyphenyl)-4-(1-phenylethyl)piperazine-1-carbothioamide CAS Name: N-(2,5-dimethoxyphenyl)-4-(1-phenylethyl)-1-piperazinecarbothioamide IUPAC Name: N-(2,5-dimethoxyphenyl)-4-(1-phenylethyl)piperazine-1-carbothioamide Traditional Name: N-(2,5-dimethoxyphenyl)-4-(1-phenylethyl)piperazine-1-carbothioamide Formula: C21H27N3O2S MolecularWeight: 385.52298

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N2CCN(CC2)C(=S)NC3=C(C=CC(=C3)OC)OC

Isomeric SMILES

CC(C1=CC=CC=C1)N2CCN(CC2)C(=S)NC3=C(C=CC(=C3)OC)OC

InChI

InChI=1S/C21H27N3O2S/c1-16(17-7-5-4-6-8-17)23-11-13-24(14-12-23)21(27)22-19-15-18(25-2)9-10-20(19)26-3/h4-10,15-16H,11-14H2,1-3H3,(H,22,27)