N-[2-(1H-indol-3-yl)-2-phenyl-ethyl]-3-(3-oxidanylidene-1,4-benzothiazin-4-yl)propanamide

Systemtic Name: N-[2-(1H-indol-3-yl)-2-phenyl-ethyl]-3-(3-oxidanylidene-1,4-benzothiazin-4-yl)propanamide Openeye Name: N-[2-(1H-indol-3-yl)-2-phenyl-ethyl]-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide CAS Name: N-[2-(1H-indol-3-yl)-2-phenylethyl]-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide IUPAC Name: N-[2-(1H-indol-3-yl)-2-phenylethyl]-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide Traditional Name: N-[2-(1H-indol-3-yl)-2-phenyl-ethyl]-3-(3-keto-1,4-benzothiazin-4-yl)propionamide Formula: C27H25N3O2S MolecularWeight: 455.5713

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C2=CC=CC=C2S1)CCC(=O)NCC(C3=CC=CC=C3)C4=CNC5=CC=CC=C54

Isomeric SMILES

C1C(=O)N(C2=CC=CC=C2S1)CCC(=O)NCC(C3=CC=CC=C3)C4=CNC5=CC=CC=C54

InChI

InChI=1S/C27H25N3O2S/c31-26(14-15-30-24-12-6-7-13-25(24)33-18-27(30)32)29-16-21(19-8-2-1-3-9-19)22-17-28-23-11-5-4-10-20(22)23/h1-13,17,21,28H,14-16,18H2,(H,29,31)