N-[3-[2-(1,3-benzothiazol-2-yl)ethylamino]-3-oxidanylidene-1-phenyl-propyl]-2-chloranyl-benzamide

Systemtic Name: N-[3-[2-(1,3-benzothiazol-2-yl)ethylamino]-3-oxidanylidene-1-phenyl-propyl]-2-chloranyl-benzamide Openeye Name: N-[3-[2-(1,3-benzothiazol-2-yl)ethylamino]-3-oxo-1-phenyl-propyl]-2-chloro-benzamide CAS Name: N-[3-[2-(1,3-benzothiazol-2-yl)ethylamino]-3-oxo-1-phenylpropyl]-2-chlorobenzamide IUPAC Name: N-[3-[2-(1,3-benzothiazol-2-yl)ethylamino]-3-oxo-1-phenylpropyl]-2-chlorobenzamide Traditional Name: N-[3-[2-(1,3-benzothiazol-2-yl)ethylamino]-3-keto-1-phenyl-propyl]-2-chloro-benzamide Formula: C25H22ClN3O2S MolecularWeight: 463.97908

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)NCCC2=NC3=CC=CC=C3S2)NC(=O)C4=CC=CC=C4Cl

Isomeric SMILES

C1=CC=C(C=C1)C(CC(=O)NCCC2=NC3=CC=CC=C3S2)NC(=O)C4=CC=CC=C4Cl

InChI

InChI=1S/C25H22ClN3O2S/c26-19-11-5-4-10-18(19)25(31)29-21(17-8-2-1-3-9-17)16-23(30)27-15-14-24-28-20-12-6-7-13-22(20)32-24/h1-13,21H,14-16H2,(H,27,30)(H,29,31)