4-(3,4-dihydro-1H-isoquinolin-2-ylcarbothioylamino)benzoic acid

Systemtic Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylcarbothioylamino)benzoic acid Openeye Name: 4-(3,4-dihydro-1H-isoquinoline-2-carbothioylamino)benzoic acid CAS Name: 4-[[3,4-dihydro-1H-isoquinolin-2-yl(sulfanylidene)methyl]amino]benzoic acid IUPAC Name: 4-(3,4-dihydro-1H-isoquinoline-2-carbothioylamino)benzoic acid Traditional Name: 4-(3,4-dihydro-1H-isoquinoline-2-carbothioylamino)benzoic acid Formula: C17H16N2O2S MolecularWeight: 312.38614

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=S)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=S)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C17H16N2O2S/c20-16(21)13-5-7-15(8-6-13)18-17(22)19-10-9-12-3-1-2-4-14(12)11-19/h1-8H,9-11H2,(H,18,22)(H,20,21)