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

Systemtic Name: ethyl (E)-3-azanyl-3-(4-methylpiperazin-1-yl)-2-[(phenylmethyl)carbamothioyl]prop-2-enoate Openeye Name: ethyl (E)-3-amino-2-(benzylcarbamothioyl)-3-(4-methylpiperazin-1-yl)prop-2-enoate CAS Name: (E)-3-amino-3-(4-methyl-1-piperazinyl)-2-[[(phenylmethyl)amino]-sulfanylidenemethyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-amino-2-(benzylcarbamothioyl)-3-(4-methylpiperazin-1-yl)prop-2-enoate Traditional Name: (E)-3-amino-2-(benzylthiocarbamoyl)-3-(4-methylpiperazino)acrylic acid ethyl ester Formula: C18H26N4O2S MolecularWeight: 362.48964

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(N)N1CCN(CC1)C)C(=S)NCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)/C(=C(/N)\N1CCN(CC1)C)/C(=S)NCC2=CC=CC=C2

InChI

InChI=1S/C18H26N4O2S/c1-3-24-18(23)15(16(19)22-11-9-21(2)10-12-22)17(25)20-13-14-7-5-4-6-8-14/h4-8H,3,9-13,19H2,1-2H3,(H,20,25)/b16-15-