N-[3-[[(3,4-dimethylphenyl)carbamothioylamino]carbamoyl]phenyl]thiophene-2-carboxamide

Systemtic Name: N-[3-[[(3,4-dimethylphenyl)carbamothioylamino]carbamoyl]phenyl]thiophene-2-carboxamide Openeye Name: N-[3-[[(3,4-dimethylphenyl)carbamothioylamino]carbamoyl]phenyl]thiophene-2-carboxamide CAS Name: N-[3-[[[(3,4-dimethylanilino)-sulfanylidenemethyl]hydrazo]-oxomethyl]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[3-[[(3,4-dimethylphenyl)carbamothioylamino]carbamoyl]phenyl]thiophene-2-carboxamide Traditional Name: N-[3-[[(3,4-dimethylphenyl)thiocarbamoylamino]carbamoyl]phenyl]thiophene-2-carboxamide Formula: C21H20N4O2S2 MolecularWeight: 424.5391

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4O2S2/c1-13-8-9-17(11-14(13)2)23-21(28)25-24-19(26)15-5-3-6-16(12-15)22-20(27)18-7-4-10-29-18/h3-12H,1-2H3,(H,22,27)(H,24,26)(H2,23,25,28)