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

Systemtic Name: N-[(1S)-3-[3-(1,3-benzothiazol-2-yl)propylamino]-3-oxidanylidene-1-phenyl-propyl]-2-chloranyl-benzamide Openeye Name: N-[(1S)-3-[3-(1,3-benzothiazol-2-yl)propylamino]-3-oxo-1-phenyl-propyl]-2-chloro-benzamide CAS Name: N-[(1S)-3-[3-(1,3-benzothiazol-2-yl)propylamino]-3-oxo-1-phenylpropyl]-2-chlorobenzamide IUPAC Name: N-[(1S)-3-[3-(1,3-benzothiazol-2-yl)propylamino]-3-oxo-1-phenylpropyl]-2-chlorobenzamide Traditional Name: N-[(1S)-3-[3-(1,3-benzothiazol-2-yl)propylamino]-3-keto-1-phenyl-propyl]-2-chloro-benzamide Formula: C26H24ClN3O2S MolecularWeight: 478.00566

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)NCCCC2=NC3=CC=CC=C3S2)NC(=O)C4=CC=CC=C4Cl

Isomeric SMILES

C1=CC=C(C=C1)[C@H](CC(=O)NCCCC2=NC3=CC=CC=C3S2)NC(=O)C4=CC=CC=C4Cl

InChI

InChI=1S/C26H24ClN3O2S/c27-20-12-5-4-11-19(20)26(32)30-22(18-9-2-1-3-10-18)17-24(31)28-16-8-15-25-29-21-13-6-7-14-23(21)33-25/h1-7,9-14,22H,8,15-17H2,(H,28,31)(H,30,32)/t22-/m0/s1