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

Systemtic Name: N-butan-2-yl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-[(4-methylsulfanylphenyl)carbamoylamino]benzamide Openeye Name: 2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-[(4-methylsulfanylphenyl)carbamoylamino]-N-sec-butyl-benzamide CAS Name: N-butan-2-yl-2-[4-(2-methoxyphenyl)-1-piperazinyl]-5-[[[4-(methylthio)anilino]-oxomethyl]amino]benzamide IUPAC Name: N-butan-2-yl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-[(4-methylsulfanylphenyl)carbamoylamino]benzamide Traditional Name: 2-[4-(2-methoxyphenyl)piperazino]-5-[[4-(methylthio)phenyl]carbamoylamino]-N-sec-butyl-benzamide Formula: C30H37N5O3S MolecularWeight: 547.71148

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=C(C=CC(=C1)NC(=O)NC2=CC=C(C=C2)SC)N3CCN(CC3)C4=CC=CC=C4OC

Isomeric SMILES

CCC(C)NC(=O)C1=C(C=CC(=C1)NC(=O)NC2=CC=C(C=C2)SC)N3CCN(CC3)C4=CC=CC=C4OC

InChI

InChI=1S/C30H37N5O3S/c1-5-21(2)31-29(36)25-20-23(33-30(37)32-22-10-13-24(39-4)14-11-22)12-15-26(25)34-16-18-35(19-17-34)27-8-6-7-9-28(27)38-3/h6-15,20-21H,5,16-19H2,1-4H3,(H,31,36)(H2,32,33,37)