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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)C3=CC=CS3

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)C3=CC=CS3

InChI

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