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

Systemtic Name: 5-azanylidene-4-[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-2-methyl-N-phenyl-9bH-thiopyrano[4,3-a]pyrrolizine-1-carboxamide Openeye Name: 4-[2-(4-bromoanilino)-2-oxo-ethyl]sulfanyl-5-imino-2-methyl-N-phenyl-9bH-thiopyrano[4,3-a]pyrrolizine-1-carboxamide CAS Name: 4-[[2-(4-bromoanilino)-2-oxoethyl]thio]-5-imino-2-methyl-N-phenyl-9bH-thiopyrano[4,3-a]pyrrolizine-1-carboxamide IUPAC Name: 4-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-5-imino-2-methyl-N-phenyl-9bH-thiopyrano[4,3-a]pyrrolizine-1-carboxamide Traditional Name: 4-[[2-(4-bromoanilino)-2-keto-ethyl]thio]-5-imino-2-methyl-N-phenyl-9bH-thiopyrano[4,3-a]pyrrolizine-1-carboxamide Formula: C26H21BrN4O2S2 MolecularWeight: 565.50454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2C3=CC=CN3C(=N)C2=C(S1)SCC(=O)NC4=CC=C(C=C4)Br)C(=O)NC5=CC=CC=C5

Isomeric SMILES

CC1=C(C2C3=CC=CN3C(=N)C2=C(S1)SCC(=O)NC4=CC=C(C=C4)Br)C(=O)NC5=CC=CC=C5

InChI

InChI=1S/C26H21BrN4O2S2/c1-15-21(25(33)30-17-6-3-2-4-7-17)22-19-8-5-13-31(19)24(28)23(22)26(35-15)34-14-20(32)29-18-11-9-16(27)10-12-18/h2-13,22,28H,14H2,1H3,(H,29,32)(H,30,33)