3-(aminomethyl)-2-(2-methylpropyl)-1-oxidanylidene-4-phenyl-isoquinoline-6-carbothioamide hydrochloride

Systemtic Name: 3-(aminomethyl)-2-(2-methylpropyl)-1-oxidanylidene-4-phenyl-isoquinoline-6-carbothioamide hydrochloride Openeye Name: 3-(aminomethyl)-2-isobutyl-1-oxo-4-phenyl-isoquinoline-6-carbothioamide hydrochloride CAS Name: 3-(aminomethyl)-2-(2-methylpropyl)-1-oxo-4-phenyl-6-isoquinolinecarbothioamide hydrochloride IUPAC Name: 3-(aminomethyl)-2-(2-methylpropyl)-1-oxo-4-phenylisoquinoline-6-carbothioamide hydrochloride Traditional Name: 3-(aminomethyl)-2-isobutyl-1-keto-4-phenyl-isoquinoline-6-carbothioamide hydrochloride Formula: C21H24ClN3OS MolecularWeight: 401.95276

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=C(C2=C(C1=O)C=CC(=C2)C(=S)N)C3=CC=CC=C3)CN.Cl

Isomeric SMILES

CC(C)CN1C(=C(C2=C(C1=O)C=CC(=C2)C(=S)N)C3=CC=CC=C3)CN.Cl

InChI

InChI=1S/C21H23N3OS.ClH/c1-13(2)12-24-18(11-22)19(14-6-4-3-5-7-14)17-10-15(20(23)26)8-9-16(17)21(24)25;/h3-10,13H,11-12,22H2,1-2H3,(H2,23,26);1H