N-[1-[(3,4-dimethylphenyl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

Systemtic Name: N-[1-[(3,4-dimethylphenyl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide Openeye Name: N-[1-[(3,4-dimethylphenyl)carbamoyl]-3-methylsulfanyl-propyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide CAS Name: N-[1-(3,4-dimethylanilino)-4-(methylthio)-1-oxobutan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide IUPAC Name: N-[1-(3,4-dimethylanilino)-4-methylsulfanyl-1-oxobutan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide Traditional Name: N-[1-[(3,4-dimethylphenyl)carbamoyl]-3-(methylthio)propyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide Formula: C23H29N3O2S MolecularWeight: 411.56026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(CCSC)NC(=O)C2CC3=CC=CC=C3CN2)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C(CCSC)NC(=O)C2CC3=CC=CC=C3CN2)C

InChI

InChI=1S/C23H29N3O2S/c1-15-8-9-19(12-16(15)2)25-22(27)20(10-11-29-3)26-23(28)21-13-17-6-4-5-7-18(17)14-24-21/h4-9,12,20-21,24H,10-11,13-14H2,1-3H3,(H,25,27)(H,26,28)