2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(4-methylsulfanylphenyl)carbamoylamino]-N-propan-2-yl-benzamide

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(4-methylsulfanylphenyl)carbamoylamino]-N-propan-2-yl-benzamide Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-isopropyl-5-[(4-methylsulfanylphenyl)carbamoylamino]benzamide CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[[[4-(methylthio)anilino]-oxomethyl]amino]-N-propan-2-ylbenzamide IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(4-methylsulfanylphenyl)carbamoylamino]-N-propan-2-ylbenzamide Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-isopropyl-5-[[4-(methylthio)phenyl]carbamoylamino]benzamide Formula: C27H30N4O2S MolecularWeight: 474.6177

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1=C(C=CC(=C1)NC(=O)NC2=CC=C(C=C2)SC)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CC(C)NC(=O)C1=C(C=CC(=C1)NC(=O)NC2=CC=C(C=C2)SC)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C27H30N4O2S/c1-18(2)28-26(32)24-16-22(30-27(33)29-21-8-11-23(34-3)12-9-21)10-13-25(24)31-15-14-19-6-4-5-7-20(19)17-31/h4-13,16,18H,14-15,17H2,1-3H3,(H,28,32)(H2,29,30,33)