ethyl 4-(isoquinolin-5-ylcarbamothioylamino)benzoate

Systemtic Name: ethyl 4-(isoquinolin-5-ylcarbamothioylamino)benzoate Openeye Name: ethyl 4-(5-isoquinolylcarbamothioylamino)benzoate CAS Name: 4-[[(5-isoquinolinylamino)-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(isoquinolin-5-ylcarbamothioylamino)benzoate Traditional Name: 4-(5-isoquinolylthiocarbamoylamino)benzoic acid ethyl ester Formula: C19H17N3O2S MolecularWeight: 351.42218

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC=CC3=C2C=CN=C3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C19H17N3O2S/c1-2-24-18(23)13-6-8-15(9-7-13)21-19(25)22-17-5-3-4-14-12-20-11-10-16(14)17/h3-12H,2H2,1H3,(H2,21,22,25)