3-(aminomethyl)-2-(2-methylpropyl)-1-oxidanylidene-4-phenyl-isoquinoline-6-carboxamide; methylsulfinylmethane

Systemtic Name: 3-(aminomethyl)-2-(2-methylpropyl)-1-oxidanylidene-4-phenyl-isoquinoline-6-carboxamide; methylsulfinylmethane Openeye Name: 3-(aminomethyl)-2-isobutyl-1-oxo-4-phenyl-isoquinoline-6-carboxamide; methylsulfinylmethane CAS Name: 3-(aminomethyl)-2-(2-methylpropyl)-1-oxo-4-phenyl-6-isoquinolinecarboxamide; methylsulfinylmethane IUPAC Name: 3-(aminomethyl)-2-(2-methylpropyl)-1-oxo-4-phenylisoquinoline-6-carboxamide; methylsulfinylmethane Traditional Name: 3-(aminomethyl)-2-isobutyl-1-keto-4-phenyl-isoquinoline-6-carboxamide; methylsulfinylmethane Formula: C23H29N3O3S MolecularWeight: 427.55966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O2.C2H6OS/c1-13(2)12-24-18(11-22)19(14-6-4-3-5-7-14)17-10-15(20(23)25)8-9-16(17)21(24)26;1-4(2)3/h3-10,13H,11-12,22H2,1-2H3,(H2,23,25);1-2H3