ethyl 2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbothioylamino]-5-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbothioyl]amino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbothioyl]amino]-5-phenylthiophene-3-carboxylate Traditional Name: 5-phenyl-2-[(4-piperonylpiperazine-1-carbothioyl)amino]thiophene-3-carboxylic acid ethyl ester Formula: C26H27N3O4S2 MolecularWeight: 509.64028

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H27N3O4S2/c1-2-31-25(30)20-15-23(19-6-4-3-5-7-19)35-24(20)27-26(34)29-12-10-28(11-13-29)16-18-8-9-21-22(14-18)33-17-32-21/h3-9,14-15H,2,10-13,16-17H2,1H3,(H,27,34)