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

Systemtic Name: N-[4-[(3,5-dimethylphenyl)carbonylcarbamothioylamino]-2-methoxy-phenyl]thiophene-2-carboxamide Openeye Name: N-[4-[(3,5-dimethylbenzoyl)carbamothioylamino]-2-methoxy-phenyl]thiophene-2-carboxamide CAS Name: N-[4-[[[[(3,5-dimethylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-2-methoxyphenyl]-2-thiophenecarboxamide IUPAC Name: N-[4-[(3,5-dimethylbenzoyl)carbamothioylamino]-2-methoxyphenyl]thiophene-2-carboxamide Traditional Name: N-[4-[(3,5-dimethylbenzoyl)thiocarbamoylamino]-2-methoxy-phenyl]thiophene-2-carboxamide Formula: C22H21N3O3S2 MolecularWeight: 439.55044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)NC(=O)C3=CC=CS3)OC)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)NC(=O)C3=CC=CS3)OC)C

InChI

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