N-[[4-[4-(4-methoxyphenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[[4-[4-(4-methoxyphenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[[4-[4-(4-methoxybenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[[4-[4-[(4-methoxyphenyl)-oxomethyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[[4-[4-(4-methoxybenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[[4-(4-p-anisoylpiperazino)phenyl]thiocarbamoyl]-piperonylamide Formula: C27H26N4O5S MolecularWeight: 518.58414

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=S)NC(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=S)NC(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C27H26N4O5S/c1-34-22-9-2-18(3-10-22)26(33)31-14-12-30(13-15-31)21-7-5-20(6-8-21)28-27(37)29-25(32)19-4-11-23-24(16-19)36-17-35-23/h2-11,16H,12-15,17H2,1H3,(H2,28,29,32,37)