N-(2-ethoxyphenyl)-4-(4-methoxyphenyl)-3-methyl-piperazine-1-carbothioamide

Systemtic Name: N-(2-ethoxyphenyl)-4-(4-methoxyphenyl)-3-methyl-piperazine-1-carbothioamide Openeye Name: N-(2-ethoxyphenyl)-4-(4-methoxyphenyl)-3-methyl-piperazine-1-carbothioamide CAS Name: N-(2-ethoxyphenyl)-4-(4-methoxyphenyl)-3-methyl-1-piperazinecarbothioamide IUPAC Name: N-(2-ethoxyphenyl)-4-(4-methoxyphenyl)-3-methylpiperazine-1-carbothioamide Traditional Name: 4-(4-methoxyphenyl)-3-methyl-N-o-phenetyl-piperazine-1-carbothioamide Formula: C21H27N3O2S MolecularWeight: 385.52298

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=S)N2CCN(C(C2)C)C3=CC=C(C=C3)OC

Isomeric SMILES

CCOC1=CC=CC=C1NC(=S)N2CCN(C(C2)C)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H27N3O2S/c1-4-26-20-8-6-5-7-19(20)22-21(27)23-13-14-24(16(2)15-23)17-9-11-18(25-3)12-10-17/h5-12,16H,4,13-15H2,1-3H3,(H,22,27)