3-(cyclohexylcarbamoylamino)-N-[4-methyl-5-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]propanimidate

Systemtic Name: 3-(cyclohexylcarbamoylamino)-N-[4-methyl-5-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]propanimidate Openeye Name: N-[5-(4-allyl-5-thioxo-1H-1,2,4-triazol-3-yl)-4-methyl-thiazol-2-yl]-3-(cyclohexylcarbamoylamino)propanimidate CAS Name: 3-[[(cyclohexylamino)-oxomethyl]amino]-N-[4-methyl-5-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-2-thiazolyl]propanimidate IUPAC Name: 3-(cyclohexylcarbamoylamino)-N-[4-methyl-5-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]propanimidate Traditional Name: N-[5-(4-allyl-5-thioxo-1H-1,2,4-triazol-3-yl)-4-methyl-thiazol-2-yl]-3-(cyclohexylcarbamoylamino)propionimidate Formula: C19H26N7O2S2- MolecularWeight: 448.58544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)N=C(CCNC(=O)NC2CCCCC2)[O-])C3=NNC(=S)N3CC=C

Isomeric SMILES

CC1=C(SC(=N1)N=C(CCNC(=O)NC2CCCCC2)[O-])C3=NNC(=S)N3CC=C

InChI

InChI=1S/C19H27N7O2S2/c1-3-11-26-16(24-25-19(26)29)15-12(2)21-18(30-15)23-14(27)9-10-20-17(28)22-13-7-5-4-6-8-13/h3,13H,1,4-11H2,2H3,(H,25,29)(H2,20,22,28)(H,21,23,27)/p-1