3-[2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]ethanoyl-(phenylmethyl)amino]propanamide

Systemtic Name: 3-[2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]ethanoyl-(phenylmethyl)amino]propanamide Openeye Name: 3-[benzyl-[2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]propanamide CAS Name: 3-[[2-[(5-chloro-1,3-benzothiazol-2-yl)thio]-1-oxoethyl]-(phenylmethyl)amino]propanamide IUPAC Name: 3-[benzyl-[2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]propanamide Traditional Name: 3-[benzyl-[2-[(5-chloro-1,3-benzothiazol-2-yl)thio]acetyl]amino]propionamide Formula: C19H18ClN3O2S2 MolecularWeight: 419.94812

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CCC(=O)N)C(=O)CSC2=NC3=C(S2)C=CC(=C3)Cl

Isomeric SMILES

C1=CC=C(C=C1)CN(CCC(=O)N)C(=O)CSC2=NC3=C(S2)C=CC(=C3)Cl

InChI

InChI=1S/C19H18ClN3O2S2/c20-14-6-7-16-15(10-14)22-19(27-16)26-12-18(25)23(9-8-17(21)24)11-13-4-2-1-3-5-13/h1-7,10H,8-9,11-12H2,(H2,21,24)