N-[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-4-phenyl-1,3-thiazol-5-yl]-3-(4-methoxyphenyl)propanamide

Systemtic Name: N-[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-4-phenyl-1,3-thiazol-5-yl]-3-(4-methoxyphenyl)propanamide Openeye Name: N-[2-(2-amino-2-oxo-ethyl)sulfanyl-4-phenyl-thiazol-5-yl]-3-(4-methoxyphenyl)propanamide CAS Name: N-[2-[(2-amino-2-oxoethyl)thio]-4-phenyl-5-thiazolyl]-3-(4-methoxyphenyl)propanamide IUPAC Name: N-[2-(2-amino-2-oxoethyl)sulfanyl-4-phenyl-1,3-thiazol-5-yl]-3-(4-methoxyphenyl)propanamide Traditional Name: N-[2-[(2-amino-2-keto-ethyl)thio]-4-phenyl-thiazol-5-yl]-3-(4-methoxyphenyl)propionamide Formula: C21H21N3O3S2 MolecularWeight: 427.53974

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCC(=O)NC2=C(N=C(S2)SCC(=O)N)C3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)CCC(=O)NC2=C(N=C(S2)SCC(=O)N)C3=CC=CC=C3

InChI

InChI=1S/C21H21N3O3S2/c1-27-16-10-7-14(8-11-16)9-12-18(26)23-20-19(15-5-3-2-4-6-15)24-21(29-20)28-13-17(22)25/h2-8,10-11H,9,12-13H2,1H3,(H2,22,25)(H,23,26)