N-butan-2-yl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(2-phenylsulfanylethanoylamino)benzamide

Systemtic Name: N-butan-2-yl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(2-phenylsulfanylethanoylamino)benzamide Openeye Name: 2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-[(2-phenylsulfanylacetyl)amino]-N-sec-butyl-benzamide CAS Name: N-butan-2-yl-2-[4-(2-methoxyphenyl)-1-piperazinyl]-5-[[1-oxo-2-(phenylthio)ethyl]amino]benzamide IUPAC Name: N-butan-2-yl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-[(2-phenylsulfanylacetyl)amino]benzamide Traditional Name: 2-[4-(2-methoxyphenyl)piperazino]-5-[[2-(phenylthio)acetyl]amino]-N-sec-butyl-benzamide Formula: C30H36N4O3S MolecularWeight: 532.69684

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=C(C=CC(=C1)NC(=O)CSC2=CC=CC=C2)N3CCN(CC3)C4=CC=CC=C4OC

Isomeric SMILES

CCC(C)NC(=O)C1=C(C=CC(=C1)NC(=O)CSC2=CC=CC=C2)N3CCN(CC3)C4=CC=CC=C4OC

InChI

InChI=1S/C30H36N4O3S/c1-4-22(2)31-30(36)25-20-23(32-29(35)21-38-24-10-6-5-7-11-24)14-15-26(25)33-16-18-34(19-17-33)27-12-8-9-13-28(27)37-3/h5-15,20,22H,4,16-19,21H2,1-3H3,(H,31,36)(H,32,35)