5-azanylidene-4-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-2-methyl-N-(2-methylphenyl)-9bH-thiopyrano[4,3-a]pyrrolizine-1-carboxamide

Systemtic Name: 5-azanylidene-4-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-2-methyl-N-(2-methylphenyl)-9bH-thiopyrano[4,3-a]pyrrolizine-1-carboxamide Openeye Name: 4-[2-(4-bromophenyl)-2-oxo-ethyl]sulfanyl-5-imino-2-methyl-N-(o-tolyl)-9bH-thiopyrano[4,3-a]pyrrolizine-1-carboxamide CAS Name: 4-[[2-(4-bromophenyl)-2-oxoethyl]thio]-5-imino-2-methyl-N-(2-methylphenyl)-9bH-thiopyrano[4,3-a]pyrrolizine-1-carboxamide IUPAC Name: 4-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-5-imino-2-methyl-N-(2-methylphenyl)-9bH-thiopyrano[4,3-a]pyrrolizine-1-carboxamide Traditional Name: 4-[[2-(4-bromophenyl)-2-keto-ethyl]thio]-5-imino-2-methyl-N-(o-tolyl)-9bH-thiopyrano[4,3-a]pyrrolizine-1-carboxamide Formula: C27H22BrN3O2S2 MolecularWeight: 564.51648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C2=C(SC(=C3C2C4=CC=CN4C3=N)SCC(=O)C5=CC=C(C=C5)Br)C

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C2=C(SC(=C3C2C4=CC=CN4C3=N)SCC(=O)C5=CC=C(C=C5)Br)C

InChI

InChI=1S/C27H22BrN3O2S2/c1-15-6-3-4-7-19(15)30-26(33)22-16(2)35-27(24-23(22)20-8-5-13-31(20)25(24)29)34-14-21(32)17-9-11-18(28)12-10-17/h3-13,23,29H,14H2,1-2H3,(H,30,33)