N-(4-ethoxyphenyl)-2-[[6-(3-phenylpropanoylamino)-1,3-benzothiazol-2-yl]sulfanyl]propanamide

Systemtic Name: N-(4-ethoxyphenyl)-2-[[6-(3-phenylpropanoylamino)-1,3-benzothiazol-2-yl]sulfanyl]propanamide Openeye Name: N-(4-ethoxyphenyl)-2-[[6-(3-phenylpropanoylamino)-1,3-benzothiazol-2-yl]sulfanyl]propanamide CAS Name: N-(4-ethoxyphenyl)-2-[[6-[(1-oxo-3-phenylpropyl)amino]-1,3-benzothiazol-2-yl]thio]propanamide IUPAC Name: N-(4-ethoxyphenyl)-2-[[6-(3-phenylpropanoylamino)-1,3-benzothiazol-2-yl]sulfanyl]propanamide Traditional Name: 2-[[6-(hydrocinnamoylamino)-1,3-benzothiazol-2-yl]thio]-N-p-phenetyl-propionamide Formula: C27H27N3O3S2 MolecularWeight: 505.65158

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C(C)SC2=NC3=C(S2)C=C(C=C3)NC(=O)CCC4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C(C)SC2=NC3=C(S2)C=C(C=C3)NC(=O)CCC4=CC=CC=C4

InChI

InChI=1S/C27H27N3O3S2/c1-3-33-22-13-10-20(11-14-22)29-26(32)18(2)34-27-30-23-15-12-21(17-24(23)35-27)28-25(31)16-9-19-7-5-4-6-8-19/h4-8,10-15,17-18H,3,9,16H2,1-2H3,(H,28,31)(H,29,32)