(3S)-N'-[(2R)-2-(1,3-benzothiazol-2-ylamino)propanoyl]-1-thiophen-2-ylsulfonyl-piperidine-3-carbohydrazide

Systemtic Name: (3S)-N'-[(2R)-2-(1,3-benzothiazol-2-ylamino)propanoyl]-1-thiophen-2-ylsulfonyl-piperidine-3-carbohydrazide Openeye Name: (3S)-N'-[(2R)-2-(1,3-benzothiazol-2-ylamino)propanoyl]-1-(2-thienylsulfonyl)piperidine-3-carbohydrazide CAS Name: (3S)-N'-[(2R)-2-(1,3-benzothiazol-2-ylamino)-1-oxopropyl]-1-thiophen-2-ylsulfonyl-3-piperidinecarbohydrazide IUPAC Name: (3S)-N'-[(2R)-2-(1,3-benzothiazol-2-ylamino)propanoyl]-1-thiophen-2-ylsulfonylpiperidine-3-carbohydrazide Traditional Name: (3S)-N'-[(2R)-2-(1,3-benzothiazol-2-ylamino)propanoyl]-1-(2-thienylsulfonyl)nipecotohydrazide Formula: C20H23N5O4S3 MolecularWeight: 493.62272

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NNC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=CS2)NC3=NC4=CC=CC=C4S3

Isomeric SMILES

C[C@H](C(=O)NNC(=O)[C@H]1CCCN(C1)S(=O)(=O)C2=CC=CS2)NC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H23N5O4S3/c1-13(21-20-22-15-7-2-3-8-16(15)31-20)18(26)23-24-19(27)14-6-4-10-25(12-14)32(28,29)17-9-5-11-30-17/h2-3,5,7-9,11,13-14H,4,6,10,12H2,1H3,(H,21,22)(H,23,26)(H,24,27)/t13-,14+/m1/s1