N-[(1S)-2-[2-(1,2-benzothiazol-3-ylamino)ethylamino]-2-oxidanylidene-1-phenyl-ethyl]-4-methoxy-benzamide

Systemtic Name: N-[(1S)-2-[2-(1,2-benzothiazol-3-ylamino)ethylamino]-2-oxidanylidene-1-phenyl-ethyl]-4-methoxy-benzamide Openeye Name: N-[(1S)-2-[2-(1,2-benzothiazol-3-ylamino)ethylamino]-2-oxo-1-phenyl-ethyl]-4-methoxy-benzamide CAS Name: N-[(1S)-2-[2-(1,2-benzothiazol-3-ylamino)ethylamino]-2-oxo-1-phenylethyl]-4-methoxybenzamide IUPAC Name: N-[(1S)-2-[2-(1,2-benzothiazol-3-ylamino)ethylamino]-2-oxo-1-phenylethyl]-4-methoxybenzamide Traditional Name: N-[(1S)-2-[2-(1,2-benzothiazol-3-ylamino)ethylamino]-2-keto-1-phenyl-ethyl]-4-methoxy-benzamide Formula: C25H24N4O3S MolecularWeight: 460.54806

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NC(C2=CC=CC=C2)C(=O)NCCNC3=NSC4=CC=CC=C43

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)N[C@@H](C2=CC=CC=C2)C(=O)NCCNC3=NSC4=CC=CC=C43

InChI

InChI=1S/C25H24N4O3S/c1-32-19-13-11-18(12-14-19)24(30)28-22(17-7-3-2-4-8-17)25(31)27-16-15-26-23-20-9-5-6-10-21(20)33-29-23/h2-14,22H,15-16H2,1H3,(H,26,29)(H,27,31)(H,28,30)/t22-/m0/s1