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

Systemtic Name: N-[4-[(3,4-dimethylphenyl)carbonylcarbamothioylamino]phenyl]thiophene-2-carboxamide Openeye Name: N-[4-[(3,4-dimethylbenzoyl)carbamothioylamino]phenyl]thiophene-2-carboxamide CAS Name: N-[4-[[[[(3,4-dimethylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[4-[(3,4-dimethylbenzoyl)carbamothioylamino]phenyl]thiophene-2-carboxamide Traditional Name: N-[4-[(3,4-dimethylbenzoyl)thiocarbamoylamino]phenyl]thiophene-2-carboxamide Formula: C21H19N3O2S2 MolecularWeight: 409.52446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O2S2/c1-13-5-6-15(12-14(13)2)19(25)24-21(27)23-17-9-7-16(8-10-17)22-20(26)18-4-3-11-28-18/h3-12H,1-2H3,(H,22,26)(H2,23,24,25,27)