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

Systemtic Name: N-[4-[(4-ethylphenyl)carbonylcarbamothioylamino]-2-methoxy-phenyl]thiophene-2-carboxamide Openeye Name: N-[4-[(4-ethylbenzoyl)carbamothioylamino]-2-methoxy-phenyl]thiophene-2-carboxamide CAS Name: N-[4-[[[[(4-ethylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-2-methoxyphenyl]-2-thiophenecarboxamide IUPAC Name: N-[4-[(4-ethylbenzoyl)carbamothioylamino]-2-methoxyphenyl]thiophene-2-carboxamide Traditional Name: N-[4-[(4-ethylbenzoyl)thiocarbamoylamino]-2-methoxy-phenyl]thiophene-2-carboxamide Formula: C22H21N3O3S2 MolecularWeight: 439.55044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O3S2/c1-3-14-6-8-15(9-7-14)20(26)25-22(29)23-16-10-11-17(18(13-16)28-2)24-21(27)19-5-4-12-30-19/h4-13H,3H2,1-2H3,(H,24,27)(H2,23,25,26,29)