(2S)-2-[2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]ethanoylamino]-N-propyl-propanamide

Systemtic Name: (2S)-2-[2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]ethanoylamino]-N-propyl-propanamide Openeye Name: (2S)-2-[[2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]-N-propyl-propanamide CAS Name: (2S)-2-[[2-[(5-chloro-1,3-benzothiazol-2-yl)thio]-1-oxoethyl]amino]-N-propylpropanamide IUPAC Name: (2S)-2-[[2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]-N-propylpropanamide Traditional Name: (2S)-2-[[2-[(5-chloro-1,3-benzothiazol-2-yl)thio]acetyl]amino]-N-propyl-propionamide Formula: C15H18ClN3O2S2 MolecularWeight: 371.90532

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)NC(=O)CSC1=NC2=C(S1)C=CC(=C2)Cl

Isomeric SMILES

CCCNC(=O)[C@H](C)NC(=O)CSC1=NC2=C(S1)C=CC(=C2)Cl

InChI

InChI=1S/C15H18ClN3O2S2/c1-3-6-17-14(21)9(2)18-13(20)8-22-15-19-11-7-10(16)4-5-12(11)23-15/h4-5,7,9H,3,6,8H2,1-2H3,(H,17,21)(H,18,20)/t9-/m0/s1