N-(3-indol-1-ylpropyl)-2-[(2S)-3-oxidanylidene-4H-1,4-benzothiazin-2-yl]ethanamide

Systemtic Name: N-(3-indol-1-ylpropyl)-2-[(2S)-3-oxidanylidene-4H-1,4-benzothiazin-2-yl]ethanamide Openeye Name: N-(3-indol-1-ylpropyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide CAS Name: N-[3-(1-indolyl)propyl]-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide IUPAC Name: N-(3-indol-1-ylpropyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide Traditional Name: N-(3-indol-1-ylpropyl)-2-[(2S)-3-keto-4H-1,4-benzothiazin-2-yl]acetamide Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CN2CCCNC(=O)CC3C(=O)NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C2C(=C1)C=CN2CCCNC(=O)C[C@H]3C(=O)NC4=CC=CC=C4S3

InChI

InChI=1S/C21H21N3O2S/c25-20(14-19-21(26)23-16-7-2-4-9-18(16)27-19)22-11-5-12-24-13-10-15-6-1-3-8-17(15)24/h1-4,6-10,13,19H,5,11-12,14H2,(H,22,25)(H,23,26)/t19-/m0/s1