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

Systemtic Name: N-[4-[(2-chloranyl-4-methyl-phenyl)carbonylcarbamothioylamino]-2-methoxy-phenyl]thiophene-2-carboxamide Openeye Name: N-[4-[(2-chloro-4-methyl-benzoyl)carbamothioylamino]-2-methoxy-phenyl]thiophene-2-carboxamide CAS Name: N-[4-[[[[(2-chloro-4-methylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-2-methoxyphenyl]-2-thiophenecarboxamide IUPAC Name: N-[4-[(2-chloro-4-methylbenzoyl)carbamothioylamino]-2-methoxyphenyl]thiophene-2-carboxamide Traditional Name: N-[4-[(2-chloro-4-methyl-benzoyl)thiocarbamoylamino]-2-methoxy-phenyl]thiophene-2-carboxamide Formula: C21H18ClN3O3S2 MolecularWeight: 459.96892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18ClN3O3S2/c1-12-5-7-14(15(22)10-12)19(26)25-21(29)23-13-6-8-16(17(11-13)28-2)24-20(27)18-4-3-9-30-18/h3-11H,1-2H3,(H,24,27)(H2,23,25,26,29)