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

Systemtic Name: N-[5-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide Openeye Name: N-[5-(2-amino-2-oxo-ethyl)sulfanyl-4-methyl-thiazol-2-yl]-3-(3-oxopiperazin-1-yl)sulfonyl-benzamide CAS Name: N-[5-[(2-amino-2-oxoethyl)thio]-4-methyl-2-thiazolyl]-3-[(3-oxo-1-piperazinyl)sulfonyl]benzamide IUPAC Name: N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-3-(3-oxopiperazin-1-yl)sulfonylbenzamide Traditional Name: N-[5-[(2-amino-2-keto-ethyl)thio]-4-methyl-thiazol-2-yl]-3-(3-ketopiperazino)sulfonyl-benzamide Formula: C17H19N5O5S3 MolecularWeight: 469.55826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCNC(=O)C3)SCC(=O)N

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCNC(=O)C3)SCC(=O)N

InChI

InChI=1S/C17H19N5O5S3/c1-10-16(28-9-13(18)23)29-17(20-10)21-15(25)11-3-2-4-12(7-11)30(26,27)22-6-5-19-14(24)8-22/h2-4,7H,5-6,8-9H2,1H3,(H2,18,23)(H,19,24)(H,20,21,25)