N1,N4-bis[(2,6-diethylphenyl)carbamothioyl]benzene-1,4-dicarboxamide

Systemtic Name: N1,N4-bis[(2,6-diethylphenyl)carbamothioyl]benzene-1,4-dicarboxamide Openeye Name: N1,N4-bis[(2,6-diethylphenyl)carbamothioyl]terephthalamide CAS Name: N1,N4-bis[(2,6-diethylanilino)-sulfanylidenemethyl]benzene-1,4-dicarboxamide IUPAC Name: 1-N,4-N-bis[(2,6-diethylphenyl)carbamothioyl]benzene-1,4-dicarboxamide Traditional Name: N,N'-bis[(2,6-diethylphenyl)thiocarbamoyl]terephthalamide Formula: C30H34N4O2S2 MolecularWeight: 546.74656

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=S)NC(=O)C2=CC=C(C=C2)C(=O)NC(=S)NC3=C(C=CC=C3CC)CC

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=S)NC(=O)C2=CC=C(C=C2)C(=O)NC(=S)NC3=C(C=CC=C3CC)CC

InChI

InChI=1S/C30H34N4O2S2/c1-5-19-11-9-12-20(6-2)25(19)31-29(37)33-27(35)23-15-17-24(18-16-23)28(36)34-30(38)32-26-21(7-3)13-10-14-22(26)8-4/h9-18H,5-8H2,1-4H3,(H2,31,33,35,37)(H2,32,34,36,38)