2-[3-(1,2-diazepin-1-yl)prop-2-ynyl]-4H-1,4-benzothiazin-3-one

Systemtic Name: 2-[3-(1,2-diazepin-1-yl)prop-2-ynyl]-4H-1,4-benzothiazin-3-one Openeye Name: 2-[3-(diazepin-1-yl)prop-2-ynyl]-4H-1,4-benzothiazin-3-one CAS Name: 2-[3-(1-diazepinyl)prop-2-ynyl]-4H-1,4-benzothiazin-3-one IUPAC Name: 2-[3-(diazepin-1-yl)prop-2-ynyl]-4H-1,4-benzothiazin-3-one Traditional Name: 2-[3-(diazepin-1-yl)prop-2-ynyl]-4H-1,4-benzothiazin-3-one Formula: C16H13N3OS MolecularWeight: 295.35892

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NN(C=C1)C#CCC2C(=O)NC3=CC=CC=C3S2

Isomeric SMILES

C1=CC=NN(C=C1)C#CCC2C(=O)NC3=CC=CC=C3S2

InChI

InChI=1S/C16H13N3OS/c20-16-15(21-14-8-3-2-7-13(14)18-16)9-6-12-19-11-5-1-4-10-17-19/h1-5,7-8,10-11,15H,9H2,(H,18,20)