N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(4-fluorophenyl)-2-sulfanylidene-1H-imidazole-4-carboxamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(4-fluorophenyl)-2-sulfanylidene-1H-imidazole-4-carboxamide Openeye Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(4-fluorophenyl)-2-thioxo-1H-imidazole-4-carboxamide CAS Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(4-fluorophenyl)-2-sulfanylidene-1H-imidazole-4-carboxamide IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(4-fluorophenyl)-2-sulfanylidene-1H-imidazole-4-carboxamide Traditional Name: 3-(4-fluorophenyl)-N-homopiperonyl-2-thioxo-4-imidazoline-4-carboxamide Formula: C19H16FN3O3S MolecularWeight: 385.412043

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CCNC(=O)C3=CNC(=S)N3C4=CC=C(C=C4)F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CCNC(=O)C3=CNC(=S)N3C4=CC=C(C=C4)F

InChI

InChI=1S/C19H16FN3O3S/c20-13-2-4-14(5-3-13)23-15(10-22-19(23)27)18(24)21-8-7-12-1-6-16-17(9-12)26-11-25-16/h1-6,9-10H,7-8,11H2,(H,21,24)(H,22,27)