N-(4-bromophenyl)-2-(5H-pyrimido[5,4-b]indol-4-ylsulfanyl)ethanamide

Systemtic Name: N-(4-bromophenyl)-2-(5H-pyrimido[5,4-b]indol-4-ylsulfanyl)ethanamide Openeye Name: N-(4-bromophenyl)-2-(5H-pyrimido[5,4-b]indol-4-ylsulfanyl)acetamide CAS Name: N-(4-bromophenyl)-2-(5H-pyrimido[5,4-b]indol-4-ylthio)acetamide IUPAC Name: N-(4-bromophenyl)-2-(5H-pyrimido[5,4-b]indol-4-ylsulfanyl)acetamide Traditional Name: N-(4-bromophenyl)-2-(5H-pyrimid[5,4-b]indol-4-ylthio)acetamide Formula: C18H13BrN4OS MolecularWeight: 413.29102

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C(N2)C(=NC=N3)SCC(=O)NC4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC=C2C(=C1)C3=C(N2)C(=NC=N3)SCC(=O)NC4=CC=C(C=C4)Br

InChI

InChI=1S/C18H13BrN4OS/c19-11-5-7-12(8-6-11)22-15(24)9-25-18-17-16(20-10-21-18)13-3-1-2-4-14(13)23-17/h1-8,10,23H,9H2,(H,22,24)