N-[2-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-3-phenyl-propanamide

Systemtic Name: N-[2-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-3-phenyl-propanamide Openeye Name: N-[2-[2-(cyclohexylamino)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-3-phenyl-propanamide CAS Name: N-[2-[[2-(cyclohexylamino)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]-3-phenylpropanamide IUPAC Name: N-[2-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-3-phenylpropanamide Traditional Name: N-[2-[[2-(cyclohexylamino)-2-keto-ethyl]thio]-1,3-benzothiazol-6-yl]-3-phenyl-propionamide Formula: C24H27N3O2S2 MolecularWeight: 453.62008

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)CCC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)CCC4=CC=CC=C4

InChI

InChI=1S/C24H27N3O2S2/c28-22(14-11-17-7-3-1-4-8-17)26-19-12-13-20-21(15-19)31-24(27-20)30-16-23(29)25-18-9-5-2-6-10-18/h1,3-4,7-8,12-13,15,18H,2,5-6,9-11,14,16H2,(H,25,29)(H,26,28)