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

Systemtic Name: N-cyclopropyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(4-methylsulfanylphenyl)carbamoylamino]benzamide Openeye Name: N-cyclopropyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(4-methylsulfanylphenyl)carbamoylamino]benzamide CAS Name: N-cyclopropyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[[[4-(methylthio)anilino]-oxomethyl]amino]benzamide IUPAC Name: N-cyclopropyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(4-methylsulfanylphenyl)carbamoylamino]benzamide Traditional Name: N-cyclopropyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[[4-(methylthio)phenyl]carbamoylamino]benzamide Formula: C27H28N4O2S MolecularWeight: 472.60182

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)NC(=O)NC2=CC(=C(C=C2)N3CCC4=CC=CC=C4C3)C(=O)NC5CC5

Isomeric SMILES

CSC1=CC=C(C=C1)NC(=O)NC2=CC(=C(C=C2)N3CCC4=CC=CC=C4C3)C(=O)NC5CC5

InChI

InChI=1S/C27H28N4O2S/c1-34-23-11-8-21(9-12-23)29-27(33)30-22-10-13-25(24(16-22)26(32)28-20-6-7-20)31-15-14-18-4-2-3-5-19(18)17-31/h2-5,8-13,16,20H,6-7,14-15,17H2,1H3,(H,28,32)(H2,29,30,33)