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

Systemtic Name: N-[5-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-3-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-[5-(2-amino-2-oxo-ethyl)sulfanyl-4-methyl-thiazol-2-yl]-3-(1-piperidylsulfonyl)benzamide CAS Name: N-[5-[(2-amino-2-oxoethyl)thio]-4-methyl-2-thiazolyl]-3-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-3-piperidin-1-ylsulfonylbenzamide Traditional Name: N-[5-[(2-amino-2-keto-ethyl)thio]-4-methyl-thiazol-2-yl]-3-piperidinosulfonyl-benzamide Formula: C18H22N4O4S3 MolecularWeight: 454.58668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O4S3/c1-12-17(27-11-15(19)23)28-18(20-12)21-16(24)13-6-5-7-14(10-13)29(25,26)22-8-3-2-4-9-22/h5-7,10H,2-4,8-9,11H2,1H3,(H2,19,23)(H,20,21,24)