6-tert-butyl-2-(1-oxidanylidene-1-phenothiazin-10-yl-butan-2-yl)sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 6-tert-butyl-2-(1-oxidanylidene-1-phenothiazin-10-yl-butan-2-yl)sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 6-tert-butyl-2-[1-(phenothiazine-10-carbonyl)propylsulfanyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 6-tert-butyl-2-[[1-oxo-1-(10-phenothiazinyl)butan-2-yl]thio]-5,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 6-tert-butyl-2-(1-oxo-1-phenothiazin-10-ylbutan-2-yl)sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 6-tert-butyl-2-[1-(phenothiazine-10-carbonyl)propylthio]-5,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C30H31N3OS2 MolecularWeight: 513.71664

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1C2=CC=CC=C2SC3=CC=CC=C31)SC4=NC5=C(CC(CC5)C(C)(C)C)C=C4C#N

Isomeric SMILES

CCC(C(=O)N1C2=CC=CC=C2SC3=CC=CC=C31)SC4=NC5=C(CC(CC5)C(C)(C)C)C=C4C#N

InChI

InChI=1S/C30H31N3OS2/c1-5-25(29(34)33-23-10-6-8-12-26(23)35-27-13-9-7-11-24(27)33)36-28-20(18-31)16-19-17-21(30(2,3)4)14-15-22(19)32-28/h6-13,16,21,25H,5,14-15,17H2,1-4H3