N-[5-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-1-(1,3-benzoxazol-2-yl)piperidine-4-carboxamide

Systemtic Name: N-[5-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-1-(1,3-benzoxazol-2-yl)piperidine-4-carboxamide Openeye Name: N-[5-(2-amino-2-oxo-ethyl)sulfanyl-4-methyl-thiazol-2-yl]-1-(1,3-benzoxazol-2-yl)piperidine-4-carboxamide CAS Name: N-[5-[(2-amino-2-oxoethyl)thio]-4-methyl-2-thiazolyl]-1-(1,3-benzoxazol-2-yl)-4-piperidinecarboxamide IUPAC Name: N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-1-(1,3-benzoxazol-2-yl)piperidine-4-carboxamide Traditional Name: N-[5-[(2-amino-2-keto-ethyl)thio]-4-methyl-thiazol-2-yl]-1-(1,3-benzoxazol-2-yl)isonipecotamide Formula: C19H21N5O3S2 MolecularWeight: 431.53174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)C2CCN(CC2)C3=NC4=CC=CC=C4O3)SCC(=O)N

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)C2CCN(CC2)C3=NC4=CC=CC=C4O3)SCC(=O)N

InChI

InChI=1S/C19H21N5O3S2/c1-11-17(28-10-15(20)25)29-18(21-11)23-16(26)12-6-8-24(9-7-12)19-22-13-4-2-3-5-14(13)27-19/h2-5,12H,6-10H2,1H3,(H2,20,25)(H,21,23,26)