3-[[4-(1,3-benzothiazol-2-ylsulfanylmethyl)phenyl]carbonylamino]-N-cyclopropyl-benzamide

Systemtic Name: 3-[[4-(1,3-benzothiazol-2-ylsulfanylmethyl)phenyl]carbonylamino]-N-cyclopropyl-benzamide Openeye Name: 3-[[4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoyl]amino]-N-cyclopropyl-benzamide CAS Name: 3-[[[4-[(1,3-benzothiazol-2-ylthio)methyl]phenyl]-oxomethyl]amino]-N-cyclopropylbenzamide IUPAC Name: 3-[[4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoyl]amino]-N-cyclopropylbenzamide Traditional Name: 3-[[4-[(1,3-benzothiazol-2-ylthio)methyl]benzoyl]amino]-N-cyclopropyl-benzamide Formula: C25H21N3O2S2 MolecularWeight: 459.58314

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C2=CC(=CC=C2)NC(=O)C3=CC=C(C=C3)CSC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CC1NC(=O)C2=CC(=CC=C2)NC(=O)C3=CC=C(C=C3)CSC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C25H21N3O2S2/c29-23(27-20-5-3-4-18(14-20)24(30)26-19-12-13-19)17-10-8-16(9-11-17)15-31-25-28-21-6-1-2-7-22(21)32-25/h1-11,14,19H,12-13,15H2,(H,26,30)(H,27,29)