N-(3-methoxypropyl)-5-[(4-methylsulfanylphenyl)carbamoylamino]-2-[4-(phenylmethyl)piperazin-1-yl]benzamide

Systemtic Name: N-(3-methoxypropyl)-5-[(4-methylsulfanylphenyl)carbamoylamino]-2-[4-(phenylmethyl)piperazin-1-yl]benzamide Openeye Name: 2-(4-benzylpiperazin-1-yl)-N-(3-methoxypropyl)-5-[(4-methylsulfanylphenyl)carbamoylamino]benzamide CAS Name: N-(3-methoxypropyl)-5-[[[4-(methylthio)anilino]-oxomethyl]amino]-2-[4-(phenylmethyl)-1-piperazinyl]benzamide IUPAC Name: 2-(4-benzylpiperazin-1-yl)-N-(3-methoxypropyl)-5-[(4-methylsulfanylphenyl)carbamoylamino]benzamide Traditional Name: 2-(4-benzylpiperazino)-N-(3-methoxypropyl)-5-[[4-(methylthio)phenyl]carbamoylamino]benzamide Formula: C30H37N5O3S MolecularWeight: 547.71148

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC(=O)C1=C(C=CC(=C1)NC(=O)NC2=CC=C(C=C2)SC)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

COCCCNC(=O)C1=C(C=CC(=C1)NC(=O)NC2=CC=C(C=C2)SC)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C30H37N5O3S/c1-38-20-6-15-31-29(36)27-21-25(33-30(37)32-24-9-12-26(39-2)13-10-24)11-14-28(27)35-18-16-34(17-19-35)22-23-7-4-3-5-8-23/h3-5,7-14,21H,6,15-20,22H2,1-2H3,(H,31,36)(H2,32,33,37)