tert-butyl 2-[6-[(4-carbamothioylphenyl)carbamoyl]-1-oxidanylidene-3,4-dihydroisoquinolin-2-yl]ethanoate

Systemtic Name: tert-butyl 2-[6-[(4-carbamothioylphenyl)carbamoyl]-1-oxidanylidene-3,4-dihydroisoquinolin-2-yl]ethanoate Openeye Name: tert-butyl 2-[6-[(4-carbamothioylphenyl)carbamoyl]-1-oxo-3,4-dihydroisoquinolin-2-yl]acetate CAS Name: 2-[6-[(4-carbamothioylanilino)-oxomethyl]-1-oxo-3,4-dihydroisoquinolin-2-yl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[6-[(4-carbamothioylphenyl)carbamoyl]-1-oxo-3,4-dihydroisoquinolin-2-yl]acetate Traditional Name: 2-[1-keto-6-[(4-thiocarbamoylphenyl)carbamoyl]-3,4-dihydroisoquinolin-2-yl]acetic acid tert-butyl ester Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1CCC2=C(C1=O)C=CC(=C2)C(=O)NC3=CC=C(C=C3)C(=S)N

Isomeric SMILES

CC(C)(C)OC(=O)CN1CCC2=C(C1=O)C=CC(=C2)C(=O)NC3=CC=C(C=C3)C(=S)N

InChI

InChI=1S/C23H25N3O4S/c1-23(2,3)30-19(27)13-26-11-10-15-12-16(6-9-18(15)22(26)29)21(28)25-17-7-4-14(5-8-17)20(24)31/h4-9,12H,10-11,13H2,1-3H3,(H2,24,31)(H,25,28)