2-[3-(1H-1,2-benzodiazepin-8-yl)prop-2-ynyl]-4H-1,4-benzothiazin-3-one

Systemtic Name: 2-[3-(1H-1,2-benzodiazepin-8-yl)prop-2-ynyl]-4H-1,4-benzothiazin-3-one Openeye Name: 2-[3-(1H-1,2-benzodiazepin-8-yl)prop-2-ynyl]-4H-1,4-benzothiazin-3-one CAS Name: 2-[3-(1H-1,2-benzodiazepin-8-yl)prop-2-ynyl]-4H-1,4-benzothiazin-3-one IUPAC Name: 2-[3-(1H-1,2-benzodiazepin-8-yl)prop-2-ynyl]-4H-1,4-benzothiazin-3-one Traditional Name: 2-[3-(1H-1,2-benzodiazepin-8-yl)prop-2-ynyl]-4H-1,4-benzothiazin-3-one Formula: C20H15N3OS MolecularWeight: 345.4176

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=O)C(S2)CC#CC3=CC4=C(C=CC=NN4)C=C3

Isomeric SMILES

C1=CC=C2C(=C1)NC(=O)C(S2)CC#CC3=CC4=C(C=CC=NN4)C=C3

InChI

InChI=1S/C20H15N3OS/c24-20-19(25-18-8-2-1-7-16(18)22-20)9-3-5-14-10-11-15-6-4-12-21-23-17(15)13-14/h1-2,4,6-8,10-13,19,23H,9H2,(H,22,24)