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

Systemtic Name: 2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-[(4-methylsulfanylphenyl)carbamoylamino]-N-(oxolan-2-ylmethyl)benzamide Openeye Name: 2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-[(4-methylsulfanylphenyl)carbamoylamino]-N-(tetrahydrofuran-2-ylmethyl)benzamide CAS Name: 2-[4-(2-methoxyphenyl)-1-piperazinyl]-5-[[[4-(methylthio)anilino]-oxomethyl]amino]-N-(2-oxolanylmethyl)benzamide IUPAC Name: 2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-[(4-methylsulfanylphenyl)carbamoylamino]-N-(oxolan-2-ylmethyl)benzamide Traditional Name: 2-[4-(2-methoxyphenyl)piperazino]-5-[[4-(methylthio)phenyl]carbamoylamino]-N-(tetrahydrofurfuryl)benzamide Formula: C31H37N5O4S MolecularWeight: 575.72158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C3=C(C=C(C=C3)NC(=O)NC4=CC=C(C=C4)SC)C(=O)NCC5CCCO5

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C3=C(C=C(C=C3)NC(=O)NC4=CC=C(C=C4)SC)C(=O)NCC5CCCO5

InChI

InChI=1S/C31H37N5O4S/c1-39-29-8-4-3-7-28(29)36-17-15-35(16-18-36)27-14-11-23(20-26(27)30(37)32-21-24-6-5-19-40-24)34-31(38)33-22-9-12-25(41-2)13-10-22/h3-4,7-14,20,24H,5-6,15-19,21H2,1-2H3,(H,32,37)(H2,33,34,38)