2-(4-aminophenyl)sulfanyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)butan-1-one

Systemtic Name: 2-(4-aminophenyl)sulfanyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)butan-1-one Openeye Name: 2-(4-aminophenyl)sulfanyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)butan-1-one CAS Name: 2-[(4-aminophenyl)thio]-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-butanone IUPAC Name: 2-(4-aminophenyl)sulfanyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)butan-1-one Traditional Name: 2-[(4-aminophenyl)thio]-1-(3,4-dihydro-1H-isoquinolin-2-yl)butan-1-one Formula: C19H22N2OS MolecularWeight: 326.45578

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1CCC2=CC=CC=C2C1)SC3=CC=C(C=C3)N

Isomeric SMILES

CCC(C(=O)N1CCC2=CC=CC=C2C1)SC3=CC=C(C=C3)N

InChI

InChI=1S/C19H22N2OS/c1-2-18(23-17-9-7-16(20)8-10-17)19(22)21-12-11-14-5-3-4-6-15(14)13-21/h3-10,18H,2,11-13,20H2,1H3