N-(6-methyl-1,3-benzothiazol-2-yl)-2-[(4-oxidanylidene-3-prop-2-enyl-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]ethanamide

Systemtic Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-[(4-oxidanylidene-3-prop-2-enyl-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]ethanamide Openeye Name: 2-[(3-allyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide CAS Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-[(4-oxo-3-prop-2-enyl-5H-pyrimido[5,4-b]indol-2-yl)thio]acetamide IUPAC Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-[(4-oxo-3-prop-2-enyl-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide Traditional Name: 2-[(3-allyl-4-keto-5H-pyrimid[5,4-b]indol-2-yl)thio]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide Formula: C23H19N5O2S2 MolecularWeight: 461.55926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NC4=C(C(=O)N3CC=C)NC5=CC=CC=C54

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NC4=C(C(=O)N3CC=C)NC5=CC=CC=C54

InChI

InChI=1S/C23H19N5O2S2/c1-3-10-28-21(30)20-19(14-6-4-5-7-15(14)24-20)27-23(28)31-12-18(29)26-22-25-16-9-8-13(2)11-17(16)32-22/h3-9,11,24H,1,10,12H2,2H3,(H,25,26,29)