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2-[methyl-(4-methylphenyl)carbothioyl-carbamoyl]benzoic acid

2-[methyl-(4-methylphenyl)carbothioyl-carbamoyl]benzoic acid

Systemtic Name:2-[methyl-(4-methylphenyl)carbothioyl-carbamoyl]benzoic acid
Openeye Name:2-[methyl-(4-methylbenzenecarbothioyl)carbamoyl]benzoic acid
CAS Name:2-[[methyl-[(4-methylphenyl)-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid
IUPAC Name:2-[methyl-(4-methylbenzenecarbothioyl)carbamoyl]benzoic acid
Traditional Name:2-[methyl-(4-methylthiobenzoyl)carbamoyl]benzoic acid
Formula: C17H15NO3S
MolecularWeight: 313.3709
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=S)N(C)C(=O)C2=CC=CC=C2C(=O)O


Isomeric SMILES

CC1=CC=C(C=C1)C(=S)N(C)C(=O)C2=CC=CC=C2C(=O)O


InChI

InChI=1S/C17H15NO3S/c1-11-7-9-12(10-8-11)16(22)18(2)15(19)13-5-3-4-6-14(13)17(20)21/h3-10H,1-2H3,(H,20,21)


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