N-[[[4-[(3-methylphenyl)carbonylamino]phenyl]carbonylamino]carbamothioyl]thiophene-2-carboxamide

Systemtic Name: N-[[[4-[(3-methylphenyl)carbonylamino]phenyl]carbonylamino]carbamothioyl]thiophene-2-carboxamide Openeye Name: N-[[[4-[(3-methylbenzoyl)amino]benzoyl]amino]carbamothioyl]thiophene-2-carboxamide CAS Name: N-[[[[4-[[(3-methylphenyl)-oxomethyl]amino]phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-thiophenecarboxamide IUPAC Name: N-[[[4-[(3-methylbenzoyl)amino]benzoyl]amino]carbamothioyl]thiophene-2-carboxamide Traditional Name: N-[[[4-(m-toluoylamino)benzoyl]amino]thiocarbamoyl]thiophene-2-carboxamide Formula: C21H18N4O3S2 MolecularWeight: 438.52262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)C(=O)NNC(=S)NC(=O)C3=CC=CS3

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)C(=O)NNC(=S)NC(=O)C3=CC=CS3

InChI

InChI=1S/C21H18N4O3S2/c1-13-4-2-5-15(12-13)18(26)22-16-9-7-14(8-10-16)19(27)24-25-21(29)23-20(28)17-6-3-11-30-17/h2-12H,1H3,(H,22,26)(H,24,27)(H2,23,25,28,29)