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

Systemtic Name: 5-azanylidene-4-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-2-methyl-N-(2-methylphenyl)-9bH-thiopyrano[4,3-a]pyrrolizine-1-carboxamide Openeye Name: 4-(2-amino-2-oxo-ethyl)sulfanyl-5-imino-2-methyl-N-(o-tolyl)-9bH-thiopyrano[4,3-a]pyrrolizine-1-carboxamide CAS Name: 4-[(2-amino-2-oxoethyl)thio]-5-imino-2-methyl-N-(2-methylphenyl)-9bH-thiopyrano[4,3-a]pyrrolizine-1-carboxamide IUPAC Name: 4-(2-amino-2-oxoethyl)sulfanyl-5-imino-2-methyl-N-(2-methylphenyl)-9bH-thiopyrano[4,3-a]pyrrolizine-1-carboxamide Traditional Name: 4-[(2-amino-2-keto-ethyl)thio]-5-imino-2-methyl-N-(o-tolyl)-9bH-thiopyrano[4,3-a]pyrrolizine-1-carboxamide Formula: C21H20N4O2S2 MolecularWeight: 424.5391

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4O2S2/c1-11-6-3-4-7-13(11)24-20(27)16-12(2)29-21(28-10-15(22)26)18-17(16)14-8-5-9-25(14)19(18)23/h3-9,17,23H,10H2,1-2H3,(H2,22,26)(H,24,27)