N-[1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(9-ethylcarbazol-3-yl)sulfanyl-1-oxidanylidene-propan-2-yl]ethanamide

Systemtic Name: N-[1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(9-ethylcarbazol-3-yl)sulfanyl-1-oxidanylidene-propan-2-yl]ethanamide Openeye Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-[(9-ethylcarbazol-3-yl)sulfanylmethyl]-2-oxo-ethyl]acetamide CAS Name: N-[1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-3-[(9-ethyl-3-carbazolyl)thio]-1-oxopropan-2-yl]acetamide IUPAC Name: N-[1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(9-ethylcarbazol-3-yl)sulfanyl-1-oxopropan-2-yl]acetamide Traditional Name: N-[1-[[(9-ethylcarbazol-3-yl)thio]methyl]-2-keto-2-(4-piperonylpiperazino)ethyl]acetamide Formula: C31H34N4O4S MolecularWeight: 558.69106

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)SCC(C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)NC(=O)C)C6=CC=CC=C61

Isomeric SMILES

CCN1C2=C(C=C(C=C2)SCC(C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)NC(=O)C)C6=CC=CC=C61

InChI

InChI=1S/C31H34N4O4S/c1-3-35-27-7-5-4-6-24(27)25-17-23(9-10-28(25)35)40-19-26(32-21(2)36)31(37)34-14-12-33(13-15-34)18-22-8-11-29-30(16-22)39-20-38-29/h4-11,16-17,26H,3,12-15,18-20H2,1-2H3,(H,32,36)