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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-2-[(4-oxidanylidene-3-phenyl-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]ethanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-2-[(4-oxo-3-phenyl-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide CAS Name: N-(1,3-benzothiazol-2-yl)-2-[(4-oxo-3-phenyl-5H-pyrimido[5,4-b]indol-2-yl)thio]acetamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-[(4-oxo-3-phenyl-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide Traditional Name: N-(1,3-benzothiazol-2-yl)-2-[(4-keto-3-phenyl-5H-pyrimid[5,4-b]indol-2-yl)thio]acetamide Formula: C25H17N5O2S2 MolecularWeight: 483.56478

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC(=O)NC5=NC6=CC=CC=C6S5

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC(=O)NC5=NC6=CC=CC=C6S5

InChI

InChI=1S/C25H17N5O2S2/c31-20(28-24-27-18-12-6-7-13-19(18)34-24)14-33-25-29-21-16-10-4-5-11-17(16)26-22(21)23(32)30(25)15-8-2-1-3-9-15/h1-13,26H,14H2,(H,27,28,31)