N-(3,4-dimethoxyphenyl)-4-(2-ethoxyphenyl)piperazine-1-carbothioamide

Systemtic Name: N-(3,4-dimethoxyphenyl)-4-(2-ethoxyphenyl)piperazine-1-carbothioamide Openeye Name: N-(3,4-dimethoxyphenyl)-4-(2-ethoxyphenyl)piperazine-1-carbothioamide CAS Name: N-(3,4-dimethoxyphenyl)-4-(2-ethoxyphenyl)-1-piperazinecarbothioamide IUPAC Name: N-(3,4-dimethoxyphenyl)-4-(2-ethoxyphenyl)piperazine-1-carbothioamide Traditional Name: N-(3,4-dimethoxyphenyl)-4-o-phenetyl-piperazine-1-carbothioamide Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CCN(CC2)C(=S)NC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCOC1=CC=CC=C1N2CCN(CC2)C(=S)NC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H27N3O3S/c1-4-27-18-8-6-5-7-17(18)23-11-13-24(14-12-23)21(28)22-16-9-10-19(25-2)20(15-16)26-3/h5-10,15H,4,11-14H2,1-3H3,(H,22,28)