3,4-bis[(4-propan-2-ylphenyl)carbonylcarbamothioylamino]benzoic acid

Systemtic Name: 3,4-bis[(4-propan-2-ylphenyl)carbonylcarbamothioylamino]benzoic acid Openeye Name: 3,4-bis[(4-isopropylbenzoyl)carbamothioylamino]benzoic acid CAS Name: 3,4-bis[[[[oxo-(4-propan-2-ylphenyl)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3,4-bis[(4-propan-2-ylbenzoyl)carbamothioylamino]benzoic acid Traditional Name: 3,4-bis(cumoylthiocarbamoylamino)benzoic acid Formula: C29H30N4O4S2 MolecularWeight: 562.7029

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)C(=O)O)NC(=S)NC(=O)C3=CC=C(C=C3)C(C)C

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)C(=O)O)NC(=S)NC(=O)C3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C29H30N4O4S2/c1-16(2)18-5-9-20(10-6-18)25(34)32-28(38)30-23-14-13-22(27(36)37)15-24(23)31-29(39)33-26(35)21-11-7-19(8-12-21)17(3)4/h5-17H,1-4H3,(H,36,37)(H2,30,32,34,38)(H2,31,33,35,39)