(E)-N-[cyclopropylmethyl-(phenylmethyl)carbamothioyl]-3-(4-fluorophenyl)prop-2-enamide

Systemtic Name: (E)-N-[cyclopropylmethyl-(phenylmethyl)carbamothioyl]-3-(4-fluorophenyl)prop-2-enamide Openeye Name: (E)-N-[benzyl(cyclopropylmethyl)carbamothioyl]-3-(4-fluorophenyl)prop-2-enamide CAS Name: (E)-N-[[cyclopropylmethyl-(phenylmethyl)amino]-sulfanylidenemethyl]-3-(4-fluorophenyl)-2-propenamide IUPAC Name: (E)-N-[benzyl(cyclopropylmethyl)carbamothioyl]-3-(4-fluorophenyl)prop-2-enamide Traditional Name: (E)-N-[benzyl(cyclopropylmethyl)thiocarbamoyl]-3-(4-fluorophenyl)acrylamide Formula: C21H21FN2OS MolecularWeight: 368.467643

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1CN(CC2=CC=CC=C2)C(=S)NC(=O)C=CC3=CC=C(C=C3)F

Isomeric SMILES

C1CC1CN(CC2=CC=CC=C2)C(=S)NC(=O)/C=C/C3=CC=C(C=C3)F

InChI

InChI=1S/C21H21FN2OS/c22-19-11-8-16(9-12-19)10-13-20(25)23-21(26)24(15-18-6-7-18)14-17-4-2-1-3-5-17/h1-5,8-13,18H,6-7,14-15H2,(H,23,25,26)/b13-10+