[1-oxidanylidene-1-[4-(phenylmethyl)piperazin-1-yl]propan-2-yl] 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate

Systemtic Name: [1-oxidanylidene-1-[4-(phenylmethyl)piperazin-1-yl]propan-2-yl] 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate Openeye Name: [2-(4-benzylpiperazin-1-yl)-1-methyl-2-oxo-ethyl] 2-(allylamino)thiazole-4-carboxylate CAS Name: 2-(prop-2-enylamino)-4-thiazolecarboxylic acid [1-oxo-1-[4-(phenylmethyl)-1-piperazinyl]propan-2-yl] ester IUPAC Name: [1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl] 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate Traditional Name: 2-(allylamino)thiazole-4-carboxylic acid [2-(4-benzylpiperazino)-2-keto-1-methyl-ethyl] ester Formula: C21H26N4O3S MolecularWeight: 414.52114

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)CC2=CC=CC=C2)OC(=O)C3=CSC(=N3)NCC=C

Isomeric SMILES

CC(C(=O)N1CCN(CC1)CC2=CC=CC=C2)OC(=O)C3=CSC(=N3)NCC=C

InChI

InChI=1S/C21H26N4O3S/c1-3-9-22-21-23-18(15-29-21)20(27)28-16(2)19(26)25-12-10-24(11-13-25)14-17-7-5-4-6-8-17/h3-8,15-16H,1,9-14H2,2H3,(H,22,23)