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

Systemtic Name: N-[5-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide Openeye Name: N-[5-(2-amino-2-oxo-ethyl)sulfanyl-4-methyl-thiazol-2-yl]-3-[4-(1-piperidylsulfonyl)phenyl]propanamide CAS Name: N-[5-[(2-amino-2-oxoethyl)thio]-4-methyl-2-thiazolyl]-3-[4-(1-piperidinylsulfonyl)phenyl]propanamide IUPAC Name: N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide Traditional Name: N-[5-[(2-amino-2-keto-ethyl)thio]-4-methyl-thiazol-2-yl]-3-(4-piperidinosulfonylphenyl)propionamide Formula: C20H26N4O4S3 MolecularWeight: 482.63984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)SCC(=O)N

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)SCC(=O)N

InChI

InChI=1S/C20H26N4O4S3/c1-14-19(29-13-17(21)25)30-20(22-14)23-18(26)10-7-15-5-8-16(9-6-15)31(27,28)24-11-3-2-4-12-24/h5-6,8-9H,2-4,7,10-13H2,1H3,(H2,21,25)(H,22,23,26)