N-[5-(3-phenylpropanoylamino)-1,3-benzothiazol-2-yl]cyclohexanecarboxamide

Systemtic Name: N-[5-(3-phenylpropanoylamino)-1,3-benzothiazol-2-yl]cyclohexanecarboxamide Openeye Name: N-[5-(3-phenylpropanoylamino)-1,3-benzothiazol-2-yl]cyclohexanecarboxamide CAS Name: N-[5-[(1-oxo-3-phenylpropyl)amino]-1,3-benzothiazol-2-yl]cyclohexanecarboxamide IUPAC Name: N-[5-(3-phenylpropanoylamino)-1,3-benzothiazol-2-yl]cyclohexanecarboxamide Traditional Name: N-[5-(hydrocinnamoylamino)-1,3-benzothiazol-2-yl]cyclohexanecarboxamide Formula: C23H25N3O2S MolecularWeight: 407.5285

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NC2=NC3=C(S2)C=CC(=C3)NC(=O)CCC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)C(=O)NC2=NC3=C(S2)C=CC(=C3)NC(=O)CCC4=CC=CC=C4

InChI

InChI=1S/C23H25N3O2S/c27-21(14-11-16-7-3-1-4-8-16)24-18-12-13-20-19(15-18)25-23(29-20)26-22(28)17-9-5-2-6-10-17/h1,3-4,7-8,12-13,15,17H,2,5-6,9-11,14H2,(H,24,27)(H,25,26,28)