N-[3-[(2-chloranyl-4-methyl-phenyl)carbonylcarbamothioylamino]-4-methyl-phenyl]furan-2-carboxamide

Systemtic Name: N-[3-[(2-chloranyl-4-methyl-phenyl)carbonylcarbamothioylamino]-4-methyl-phenyl]furan-2-carboxamide Openeye Name: N-[3-[(2-chloro-4-methyl-benzoyl)carbamothioylamino]-4-methyl-phenyl]furan-2-carboxamide CAS Name: N-[3-[[[[(2-chloro-4-methylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-methylphenyl]-2-furancarboxamide IUPAC Name: N-[3-[(2-chloro-4-methylbenzoyl)carbamothioylamino]-4-methylphenyl]furan-2-carboxamide Traditional Name: N-[3-[(2-chloro-4-methyl-benzoyl)thiocarbamoylamino]-4-methyl-phenyl]-2-furamide Formula: C21H18ClN3O3S MolecularWeight: 427.90392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)NC(=O)C3=CC=CO3)C)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)NC(=O)C3=CC=CO3)C)Cl

InChI

InChI=1S/C21H18ClN3O3S/c1-12-5-8-15(16(22)10-12)19(26)25-21(29)24-17-11-14(7-6-13(17)2)23-20(27)18-4-3-9-28-18/h3-11H,1-2H3,(H,23,27)(H2,24,25,26,29)