N-(4-ethoxyphenyl)-4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazine-1-carbothioamide

Systemtic Name: N-(4-ethoxyphenyl)-4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazine-1-carbothioamide Openeye Name: N-(4-ethoxyphenyl)-4-[[2-(3-thienyl)thiazol-4-yl]methyl]piperazine-1-carbothioamide CAS Name: N-(4-ethoxyphenyl)-4-[[2-(3-thiophenyl)-4-thiazolyl]methyl]-1-piperazinecarbothioamide IUPAC Name: N-(4-ethoxyphenyl)-4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazine-1-carbothioamide Traditional Name: N-p-phenetyl-4-[[2-(3-thienyl)thiazol-4-yl]methyl]piperazine-1-carbothioamide Formula: C21H24N4OS3 MolecularWeight: 444.63646

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)N2CCN(CC2)CC3=CSC(=N3)C4=CSC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)N2CCN(CC2)CC3=CSC(=N3)C4=CSC=C4

InChI

InChI=1S/C21H24N4OS3/c1-2-26-19-5-3-17(4-6-19)23-21(27)25-10-8-24(9-11-25)13-18-15-29-20(22-18)16-7-12-28-14-16/h3-7,12,14-15H,2,8-11,13H2,1H3,(H,23,27)