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

Systemtic Name: N-(4-ethoxyphenyl)-4-[(3-methoxyphenyl)methyl]piperazine-1-carbothioamide Openeye Name: N-(4-ethoxyphenyl)-4-[(3-methoxyphenyl)methyl]piperazine-1-carbothioamide CAS Name: N-(4-ethoxyphenyl)-4-[(3-methoxyphenyl)methyl]-1-piperazinecarbothioamide IUPAC Name: N-(4-ethoxyphenyl)-4-[(3-methoxyphenyl)methyl]piperazine-1-carbothioamide Traditional Name: 4-m-anisyl-N-p-phenetyl-piperazine-1-carbothioamide Formula: C21H27N3O2S MolecularWeight: 385.52298

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)N2CCN(CC2)CC3=CC(=CC=C3)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)N2CCN(CC2)CC3=CC(=CC=C3)OC

InChI

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