N-(1,3-benzothiazol-2-yl)-2-[(5-propyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propanamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-2-[(5-propyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-2-[(5-propyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propanamide CAS Name: N-(1,3-benzothiazol-2-yl)-2-[(5-propyl-[1,2,4]triazino[5,6-b]indol-3-yl)thio]propanamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-[(5-propyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propanamide Traditional Name: N-(1,3-benzothiazol-2-yl)-2-[(5-propyl-[1,2,4]triazin[5,6-b]indol-3-yl)thio]propionamide Formula: C22H20N6OS2 MolecularWeight: 448.5638

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2C3=C1N=C(N=N3)SC(C)C(=O)NC4=NC5=CC=CC=C5S4

Isomeric SMILES

CCCN1C2=CC=CC=C2C3=C1N=C(N=N3)SC(C)C(=O)NC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H20N6OS2/c1-3-12-28-16-10-6-4-8-14(16)18-19(28)24-22(27-26-18)30-13(2)20(29)25-21-23-15-9-5-7-11-17(15)31-21/h4-11,13H,3,12H2,1-2H3,(H,23,25,29)