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

Systemtic Name: N-[5-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-3-(2-phenylethanoylamino)propanamide Openeye Name: N-[5-(2-amino-2-oxo-ethyl)sulfanyl-4-methyl-thiazol-2-yl]-3-[(2-phenylacetyl)amino]propanamide CAS Name: N-[5-[(2-amino-2-oxoethyl)thio]-4-methyl-2-thiazolyl]-3-[(1-oxo-2-phenylethyl)amino]propanamide IUPAC Name: N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-3-[(2-phenylacetyl)amino]propanamide Traditional Name: N-[5-[(2-amino-2-keto-ethyl)thio]-4-methyl-thiazol-2-yl]-3-[(2-phenylacetyl)amino]propionamide Formula: C17H20N4O3S2 MolecularWeight: 392.4957

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)CCNC(=O)CC2=CC=CC=C2)SCC(=O)N

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)CCNC(=O)CC2=CC=CC=C2)SCC(=O)N

InChI

InChI=1S/C17H20N4O3S2/c1-11-16(25-10-13(18)22)26-17(20-11)21-14(23)7-8-19-15(24)9-12-5-3-2-4-6-12/h2-6H,7-10H2,1H3,(H2,18,22)(H,19,24)(H,20,21,23)