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

Systemtic Name: 5-azanylidene-4-[2-(4-butylphenyl)-2-oxidanylidene-ethyl]sulfanyl-2-methyl-N-(2-methylphenyl)-9bH-thiopyrano[4,3-a]pyrrolizine-1-carboxamide Openeye Name: 4-[2-(4-butylphenyl)-2-oxo-ethyl]sulfanyl-5-imino-2-methyl-N-(o-tolyl)-9bH-thiopyrano[4,3-a]pyrrolizine-1-carboxamide CAS Name: 4-[[2-(4-butylphenyl)-2-oxoethyl]thio]-5-imino-2-methyl-N-(2-methylphenyl)-9bH-thiopyrano[4,3-a]pyrrolizine-1-carboxamide IUPAC Name: 4-[2-(4-butylphenyl)-2-oxoethyl]sulfanyl-5-imino-2-methyl-N-(2-methylphenyl)-9bH-thiopyrano[4,3-a]pyrrolizine-1-carboxamide Traditional Name: 4-[[2-(4-butylphenyl)-2-keto-ethyl]thio]-5-imino-2-methyl-N-(o-tolyl)-9bH-thiopyrano[4,3-a]pyrrolizine-1-carboxamide Formula: C31H31N3O2S2 MolecularWeight: 541.72674

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)CSC2=C3C(C4=CC=CN4C3=N)C(=C(S2)C)C(=O)NC5=CC=CC=C5C

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)CSC2=C3C(C4=CC=CN4C3=N)C(=C(S2)C)C(=O)NC5=CC=CC=C5C

InChI

InChI=1S/C31H31N3O2S2/c1-4-5-10-21-13-15-22(16-14-21)25(35)18-37-31-28-27(24-12-8-17-34(24)29(28)32)26(20(3)38-31)30(36)33-23-11-7-6-9-19(23)2/h6-9,11-17,27,32H,4-5,10,18H2,1-3H3,(H,33,36)