N-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]carbamothioyl]-1,5-dimethyl-pyrazole-3-carboxamide

Systemtic Name: N-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]carbamothioyl]-1,5-dimethyl-pyrazole-3-carboxamide Openeye Name: N-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]carbamothioyl]-1,5-dimethyl-pyrazole-3-carboxamide CAS Name: N-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)anilino]-sulfanylidenemethyl]-1,5-dimethyl-3-pyrazolecarboxamide IUPAC Name: N-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]carbamothioyl]-1,5-dimethylpyrazole-3-carboxamide Traditional Name: N-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]thiocarbamoyl]-1,5-dimethyl-pyrazole-3-carboxamide Formula: C22H23N5OS MolecularWeight: 405.51592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C)C(=O)NC(=S)NC2=CC=C(C=C2)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CC1=CC(=NN1C)C(=O)NC(=S)NC2=CC=C(C=C2)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C22H23N5OS/c1-15-13-20(25-26(15)2)21(28)24-22(29)23-18-7-9-19(10-8-18)27-12-11-16-5-3-4-6-17(16)14-27/h3-10,13H,11-12,14H2,1-2H3,(H2,23,24,28,29)