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

Systemtic Name: N-[4-[(3,4-dimethoxyphenyl)carbonylcarbamothioylamino]phenyl]thiophene-2-carboxamide Openeye Name: N-[4-[(3,4-dimethoxybenzoyl)carbamothioylamino]phenyl]thiophene-2-carboxamide CAS Name: N-[4-[[[[(3,4-dimethoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[4-[(3,4-dimethoxybenzoyl)carbamothioylamino]phenyl]thiophene-2-carboxamide Traditional Name: N-[4-(veratroylthiocarbamoylamino)phenyl]thiophene-2-carboxamide Formula: C21H19N3O4S2 MolecularWeight: 441.52326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CS3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CS3)OC

InChI

InChI=1S/C21H19N3O4S2/c1-27-16-10-5-13(12-17(16)28-2)19(25)24-21(29)23-15-8-6-14(7-9-15)22-20(26)18-4-3-11-30-18/h3-12H,1-2H3,(H,22,26)(H2,23,24,25,29)