N-[(1S)-2-[2-(1,2-benzothiazol-3-ylamino)ethylamino]-2-oxidanylidene-1-phenyl-ethyl]butanamide

Systemtic Name: N-[(1S)-2-[2-(1,2-benzothiazol-3-ylamino)ethylamino]-2-oxidanylidene-1-phenyl-ethyl]butanamide Openeye Name: N-[(1S)-2-[2-(1,2-benzothiazol-3-ylamino)ethylamino]-2-oxo-1-phenyl-ethyl]butanamide CAS Name: N-[(1S)-2-[2-(1,2-benzothiazol-3-ylamino)ethylamino]-2-oxo-1-phenylethyl]butanamide IUPAC Name: N-[(1S)-2-[2-(1,2-benzothiazol-3-ylamino)ethylamino]-2-oxo-1-phenylethyl]butanamide Traditional Name: N-[(1S)-2-[2-(1,2-benzothiazol-3-ylamino)ethylamino]-2-keto-1-phenyl-ethyl]butyramide Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC(C1=CC=CC=C1)C(=O)NCCNC2=NSC3=CC=CC=C32

Isomeric SMILES

CCCC(=O)N[C@@H](C1=CC=CC=C1)C(=O)NCCNC2=NSC3=CC=CC=C32

InChI

InChI=1S/C21H24N4O2S/c1-2-8-18(26)24-19(15-9-4-3-5-10-15)21(27)23-14-13-22-20-16-11-6-7-12-17(16)28-25-20/h3-7,9-12,19H,2,8,13-14H2,1H3,(H,22,25)(H,23,27)(H,24,26)/t19-/m0/s1