N-(2-diethylaminoethyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(2-phenylsulfanylethanoylamino)benzamide

Systemtic Name: N-(2-diethylaminoethyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(2-phenylsulfanylethanoylamino)benzamide Openeye Name: N-(2-diethylaminoethyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(2-phenylsulfanylacetyl)amino]benzamide CAS Name: N-(2-diethylaminoethyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[[1-oxo-2-(phenylthio)ethyl]amino]benzamide IUPAC Name: N-(2-diethylaminoethyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(2-phenylsulfanylacetyl)amino]benzamide Traditional Name: N-(2-diethylaminoethyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[[2-(phenylthio)acetyl]amino]benzamide Formula: C30H36N4O2S MolecularWeight: 516.69744

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC(=O)C1=C(C=CC(=C1)NC(=O)CSC2=CC=CC=C2)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CCN(CC)CCNC(=O)C1=C(C=CC(=C1)NC(=O)CSC2=CC=CC=C2)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C30H36N4O2S/c1-3-33(4-2)19-17-31-30(36)27-20-25(32-29(35)22-37-26-12-6-5-7-13-26)14-15-28(27)34-18-16-23-10-8-9-11-24(23)21-34/h5-15,20H,3-4,16-19,21-22H2,1-2H3,(H,31,36)(H,32,35)