pentan-3-yl 5-[(2-aminophenyl)carbothioylamino]-2-chloranyl-benzoate

Systemtic Name: pentan-3-yl 5-[(2-aminophenyl)carbothioylamino]-2-chloranyl-benzoate Openeye Name: 1-ethylpropyl 5-[(2-aminobenzenecarbothioyl)amino]-2-chloro-benzoate CAS Name: 5-[[(2-aminophenyl)-sulfanylidenemethyl]amino]-2-chlorobenzoic acid pentan-3-yl ester IUPAC Name: pentan-3-yl 5-[(2-aminobenzenecarbothioyl)amino]-2-chlorobenzoate Traditional Name: 5-[(2-aminothiobenzoyl)amino]-2-chloro-benzoic acid 1-ethylpropyl ester Formula: C19H21ClN2O2S MolecularWeight: 376.90024

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)OC(=O)C1=C(C=CC(=C1)NC(=S)C2=CC=CC=C2N)Cl

Isomeric SMILES

CCC(CC)OC(=O)C1=C(C=CC(=C1)NC(=S)C2=CC=CC=C2N)Cl

InChI

InChI=1S/C19H21ClN2O2S/c1-3-13(4-2)24-19(23)15-11-12(9-10-16(15)20)22-18(25)14-7-5-6-8-17(14)21/h5-11,13H,3-4,21H2,1-2H3,(H,22,25)