N-[4-[[(E)-3-(furan-2-yl)prop-2-enoyl]carbamothioylamino]-2-methoxy-phenyl]thiophene-2-carboxamide

Systemtic Name: N-[4-[[(E)-3-(furan-2-yl)prop-2-enoyl]carbamothioylamino]-2-methoxy-phenyl]thiophene-2-carboxamide Openeye Name: N-[4-[[(E)-3-(2-furyl)prop-2-enoyl]carbamothioylamino]-2-methoxy-phenyl]thiophene-2-carboxamide CAS Name: N-[4-[[[[(E)-3-(2-furanyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]-2-methoxyphenyl]-2-thiophenecarboxamide IUPAC Name: N-[4-[[(E)-3-(furan-2-yl)prop-2-enoyl]carbamothioylamino]-2-methoxyphenyl]thiophene-2-carboxamide Traditional Name: N-[4-[[(E)-3-(2-furyl)acryloyl]thiocarbamoylamino]-2-methoxy-phenyl]thiophene-2-carboxamide Formula: C20H17N3O4S2 MolecularWeight: 427.49668

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)NC(=S)NC(=O)C=CC2=CC=CO2)NC(=O)C3=CC=CS3

Isomeric SMILES

COC1=C(C=CC(=C1)NC(=S)NC(=O)/C=C/C2=CC=CO2)NC(=O)C3=CC=CS3

InChI

InChI=1S/C20H17N3O4S2/c1-26-16-12-13(6-8-15(16)22-19(25)17-5-3-11-29-17)21-20(28)23-18(24)9-7-14-4-2-10-27-14/h2-12H,1H3,(H,22,25)(H2,21,23,24,28)/b9-7+