N-[4-[(4-chlorophenyl)carbamothioylamino]-2,5-diethoxy-phenyl]thiophene-2-carboxamide

Systemtic Name: N-[4-[(4-chlorophenyl)carbamothioylamino]-2,5-diethoxy-phenyl]thiophene-2-carboxamide Openeye Name: N-[4-[(4-chlorophenyl)carbamothioylamino]-2,5-diethoxy-phenyl]thiophene-2-carboxamide CAS Name: N-[4-[[(4-chloroanilino)-sulfanylidenemethyl]amino]-2,5-diethoxyphenyl]-2-thiophenecarboxamide IUPAC Name: N-[4-[(4-chlorophenyl)carbamothioylamino]-2,5-diethoxyphenyl]thiophene-2-carboxamide Traditional Name: N-[4-[(4-chlorophenyl)thiocarbamoylamino]-2,5-diethoxy-phenyl]thiophene-2-carboxamide Formula: C22H22ClN3O3S2 MolecularWeight: 476.01138

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1NC(=O)C2=CC=CS2)OCC)NC(=S)NC3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC1=CC(=C(C=C1NC(=O)C2=CC=CS2)OCC)NC(=S)NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H22ClN3O3S2/c1-3-28-18-13-17(26-22(30)24-15-9-7-14(23)8-10-15)19(29-4-2)12-16(18)25-21(27)20-6-5-11-31-20/h5-13H,3-4H2,1-2H3,(H,25,27)(H2,24,26,30)