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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC(=S)NC2=CC(=C(C=C2)NC(=O)C3=CC=CS3)OC

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC(=S)NC2=CC(=C(C=C2)NC(=O)C3=CC=CS3)OC

InChI

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