N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C21H22N4OS MolecularWeight: 378.49058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C21H22N4OS/c1-15-19(20(26)25(23(15)2)18-10-4-3-5-11-18)22-21(27)24-13-12-16-8-6-7-9-17(16)14-24/h3-11H,12-14H2,1-2H3,(H,22,27)