3-(4-fluorophenyl)-N-[1-(phenylmethyl)pyrrolidin-3-yl]-2-sulfanylidene-1H-imidazole-4-carboxamide

Systemtic Name: 3-(4-fluorophenyl)-N-[1-(phenylmethyl)pyrrolidin-3-yl]-2-sulfanylidene-1H-imidazole-4-carboxamide Openeye Name: N-(1-benzylpyrrolidin-3-yl)-3-(4-fluorophenyl)-2-thioxo-1H-imidazole-4-carboxamide CAS Name: 3-(4-fluorophenyl)-N-[1-(phenylmethyl)-3-pyrrolidinyl]-2-sulfanylidene-1H-imidazole-4-carboxamide IUPAC Name: N-(1-benzylpyrrolidin-3-yl)-3-(4-fluorophenyl)-2-sulfanylidene-1H-imidazole-4-carboxamide Traditional Name: N-(1-benzylpyrrolidin-3-yl)-3-(4-fluorophenyl)-2-thioxo-4-imidazoline-4-carboxamide Formula: C21H21FN4OS MolecularWeight: 396.481043

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1NC(=O)C2=CNC(=S)N2C3=CC=C(C=C3)F)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC1NC(=O)C2=CNC(=S)N2C3=CC=C(C=C3)F)CC4=CC=CC=C4

InChI

InChI=1S/C21H21FN4OS/c22-16-6-8-18(9-7-16)26-19(12-23-21(26)28)20(27)24-17-10-11-25(14-17)13-15-4-2-1-3-5-15/h1-9,12,17H,10-11,13-14H2,(H,23,28)(H,24,27)