N-[4-[(2-methoxy-3-methyl-phenyl)carbonylcarbamothioylamino]phenyl]thiophene-2-carboxamide

Systemtic Name: N-[4-[(2-methoxy-3-methyl-phenyl)carbonylcarbamothioylamino]phenyl]thiophene-2-carboxamide Openeye Name: N-[4-[(2-methoxy-3-methyl-benzoyl)carbamothioylamino]phenyl]thiophene-2-carboxamide CAS Name: N-[4-[[[[(2-methoxy-3-methylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[4-[(2-methoxy-3-methylbenzoyl)carbamothioylamino]phenyl]thiophene-2-carboxamide Traditional Name: N-[4-[(2-methoxy-3-methyl-benzoyl)thiocarbamoylamino]phenyl]thiophene-2-carboxamide Formula: C21H19N3O3S2 MolecularWeight: 425.52386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1OC)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CS3

Isomeric SMILES

CC1=CC=CC(=C1OC)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CS3

InChI

InChI=1S/C21H19N3O3S2/c1-13-5-3-6-16(18(13)27-2)19(25)24-21(28)23-15-10-8-14(9-11-15)22-20(26)17-7-4-12-29-17/h3-12H,1-2H3,(H,22,26)(H2,23,24,25,28)