ethyl (E)-3-azanyl-2-[(4-fluorophenyl)carbamothioyl]-3-(4-methylpiperazin-1-yl)prop-2-enoate

Systemtic Name: ethyl (E)-3-azanyl-2-[(4-fluorophenyl)carbamothioyl]-3-(4-methylpiperazin-1-yl)prop-2-enoate Openeye Name: ethyl (E)-3-amino-2-[(4-fluorophenyl)carbamothioyl]-3-(4-methylpiperazin-1-yl)prop-2-enoate CAS Name: (E)-3-amino-2-[(4-fluoroanilino)-sulfanylidenemethyl]-3-(4-methyl-1-piperazinyl)-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-amino-2-[(4-fluorophenyl)carbamothioyl]-3-(4-methylpiperazin-1-yl)prop-2-enoate Traditional Name: (E)-3-amino-2-[(4-fluorophenyl)thiocarbamoyl]-3-(4-methylpiperazino)acrylic acid ethyl ester Formula: C17H23FN4O2S MolecularWeight: 366.453523

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(N)N1CCN(CC1)C)C(=S)NC2=CC=C(C=C2)F

Isomeric SMILES

CCOC(=O)/C(=C(/N)\N1CCN(CC1)C)/C(=S)NC2=CC=C(C=C2)F

InChI

InChI=1S/C17H23FN4O2S/c1-3-24-17(23)14(15(19)22-10-8-21(2)9-11-22)16(25)20-13-6-4-12(18)5-7-13/h4-7H,3,8-11,19H2,1-2H3,(H,20,25)/b15-14-