N-[4-[(3,5-dimethoxyphenyl)carbonylcarbamothioylamino]phenyl]thiophene-2-carboxamide

Systemtic Name: N-[4-[(3,5-dimethoxyphenyl)carbonylcarbamothioylamino]phenyl]thiophene-2-carboxamide Openeye Name: N-[4-[(3,5-dimethoxybenzoyl)carbamothioylamino]phenyl]thiophene-2-carboxamide CAS Name: N-[4-[[[[(3,5-dimethoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[4-[(3,5-dimethoxybenzoyl)carbamothioylamino]phenyl]thiophene-2-carboxamide Traditional Name: N-[4-[(3,5-dimethoxybenzoyl)thiocarbamoylamino]phenyl]thiophene-2-carboxamide Formula: C21H19N3O4S2 MolecularWeight: 441.52326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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