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

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methoxypropyl)-5-[(4-methylsulfanylphenyl)carbamoylamino]benzamide Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methoxypropyl)-5-[(4-methylsulfanylphenyl)carbamoylamino]benzamide CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methoxypropyl)-5-[[[4-(methylthio)anilino]-oxomethyl]amino]benzamide IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methoxypropyl)-5-[(4-methylsulfanylphenyl)carbamoylamino]benzamide Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methoxypropyl)-5-[[4-(methylthio)phenyl]carbamoylamino]benzamide Formula: C28H32N4O3S MolecularWeight: 504.64368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H32N4O3S/c1-35-17-5-15-29-27(33)25-18-23(31-28(34)30-22-8-11-24(36-2)12-9-22)10-13-26(25)32-16-14-20-6-3-4-7-21(20)19-32/h3-4,6-13,18H,5,14-17,19H2,1-2H3,(H,29,33)(H2,30,31,34)