ethyl (E)-3-azanyl-3-[4-(4-methoxyphenyl)piperazin-1-yl]-2-thiocyanato-prop-2-enoate

Systemtic Name: ethyl (E)-3-azanyl-3-[4-(4-methoxyphenyl)piperazin-1-yl]-2-thiocyanato-prop-2-enoate Openeye Name: ethyl (E)-3-amino-3-[4-(4-methoxyphenyl)piperazin-1-yl]-2-thiocyanato-prop-2-enoate CAS Name: (E)-3-amino-3-[4-(4-methoxyphenyl)-1-piperazinyl]-2-thiocyanato-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-amino-3-[4-(4-methoxyphenyl)piperazin-1-yl]-2-thiocyanatoprop-2-enoate Traditional Name: (E)-3-amino-3-[4-(4-methoxyphenyl)piperazino]-2-thiocyanato-acrylic acid ethyl ester Formula: C17H22N4O3S MolecularWeight: 362.44658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(N)N1CCN(CC1)C2=CC=C(C=C2)OC)SC#N

Isomeric SMILES

CCOC(=O)/C(=C(/N)\N1CCN(CC1)C2=CC=C(C=C2)OC)/SC#N

InChI

InChI=1S/C17H22N4O3S/c1-3-24-17(22)15(25-12-18)16(19)21-10-8-20(9-11-21)13-4-6-14(23-2)7-5-13/h4-7H,3,8-11,19H2,1-2H3/b16-15+