N1,N2-bis[(2-ethyl-6-methyl-phenyl)carbamothioyl]benzene-1,2-dicarboxamide

Systemtic Name: N1,N2-bis[(2-ethyl-6-methyl-phenyl)carbamothioyl]benzene-1,2-dicarboxamide Openeye Name: N1,N2-bis[(2-ethyl-6-methyl-phenyl)carbamothioyl]phthalamide CAS Name: N1,N2-bis[(2-ethyl-6-methylanilino)-sulfanylidenemethyl]benzene-1,2-dicarboxamide IUPAC Name: 1-N,2-N-bis[(2-ethyl-6-methylphenyl)carbamothioyl]benzene-1,2-dicarboxamide Traditional Name: N,N'-bis[(2-ethyl-6-methyl-phenyl)thiocarbamoyl]phthalamide Formula: C28H30N4O2S2 MolecularWeight: 518.6934

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=S)NC(=O)C2=CC=CC=C2C(=O)NC(=S)NC3=C(C=CC=C3CC)C)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=S)NC(=O)C2=CC=CC=C2C(=O)NC(=S)NC3=C(C=CC=C3CC)C)C

InChI

InChI=1S/C28H30N4O2S2/c1-5-19-13-9-11-17(3)23(19)29-27(35)31-25(33)21-15-7-8-16-22(21)26(34)32-28(36)30-24-18(4)12-10-14-20(24)6-2/h7-16H,5-6H2,1-4H3,(H2,29,31,33,35)(H2,30,32,34,36)