methyl 3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethylcarbamoylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethylcarbamoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethylcarbamoylamino]thiophene-2-carboxylate CAS Name: 3-[[[2-[4-(4-methoxyphenyl)-1-piperazinyl]ethylamino]-oxomethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethylcarbamoylamino]thiophene-2-carboxylate Traditional Name: 3-[2-[4-(4-methoxyphenyl)piperazino]ethylcarbamoylamino]thiophene-2-carboxylic acid methyl ester Formula: C20H26N4O4S MolecularWeight: 418.50984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)CCNC(=O)NC3=C(SC=C3)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)CCNC(=O)NC3=C(SC=C3)C(=O)OC

InChI

InChI=1S/C20H26N4O4S/c1-27-16-5-3-15(4-6-16)24-12-10-23(11-13-24)9-8-21-20(26)22-17-7-14-29-18(17)19(25)28-2/h3-7,14H,8-13H2,1-2H3,(H2,21,22,26)