N-(2-diethylaminoethyl)-5-[(4-methylsulfanylphenyl)carbamoylamino]-2-pyrrolidin-1-yl-benzamide

Systemtic Name: N-(2-diethylaminoethyl)-5-[(4-methylsulfanylphenyl)carbamoylamino]-2-pyrrolidin-1-yl-benzamide Openeye Name: N-(2-diethylaminoethyl)-5-[(4-methylsulfanylphenyl)carbamoylamino]-2-pyrrolidin-1-yl-benzamide CAS Name: N-(2-diethylaminoethyl)-5-[[[4-(methylthio)anilino]-oxomethyl]amino]-2-(1-pyrrolidinyl)benzamide IUPAC Name: N-(2-diethylaminoethyl)-5-[(4-methylsulfanylphenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide Traditional Name: N-(2-diethylaminoethyl)-5-[[4-(methylthio)phenyl]carbamoylamino]-2-pyrrolidino-benzamide Formula: C25H35N5O2S MolecularWeight: 469.6427

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC(=O)C1=C(C=CC(=C1)NC(=O)NC2=CC=C(C=C2)SC)N3CCCC3

Isomeric SMILES

CCN(CC)CCNC(=O)C1=C(C=CC(=C1)NC(=O)NC2=CC=C(C=C2)SC)N3CCCC3

InChI

InChI=1S/C25H35N5O2S/c1-4-29(5-2)17-14-26-24(31)22-18-20(10-13-23(22)30-15-6-7-16-30)28-25(32)27-19-8-11-21(33-3)12-9-19/h8-13,18H,4-7,14-17H2,1-3H3,(H,26,31)(H2,27,28,32)