2-[(4-fluorophenyl)carbamothioylamino]-4-methyl-5-(phenylmethyl)thiophene-3-carboxamide

Systemtic Name: 2-[(4-fluorophenyl)carbamothioylamino]-4-methyl-5-(phenylmethyl)thiophene-3-carboxamide Openeye Name: 5-benzyl-2-[(4-fluorophenyl)carbamothioylamino]-4-methyl-thiophene-3-carboxamide CAS Name: 2-[[(4-fluoroanilino)-sulfanylidenemethyl]amino]-4-methyl-5-(phenylmethyl)-3-thiophenecarboxamide IUPAC Name: 5-benzyl-2-[(4-fluorophenyl)carbamothioylamino]-4-methylthiophene-3-carboxamide Traditional Name: 5-benzyl-2-[(4-fluorophenyl)thiocarbamoylamino]-4-methyl-thiophene-3-carboxamide Formula: C20H18FN3OS2 MolecularWeight: 399.504823

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)N)NC(=S)NC2=CC=C(C=C2)F)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(SC(=C1C(=O)N)NC(=S)NC2=CC=C(C=C2)F)CC3=CC=CC=C3

InChI

InChI=1S/C20H18FN3OS2/c1-12-16(11-13-5-3-2-4-6-13)27-19(17(12)18(22)25)24-20(26)23-15-9-7-14(21)8-10-15/h2-10H,11H2,1H3,(H2,22,25)(H2,23,24,26)