9-azanyl-7-[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-10-cyano-8-azaspiro[4.5]deca-7,9-diene-6-carboxamide

Systemtic Name: 9-azanyl-7-[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-10-cyano-8-azaspiro[4.5]deca-7,9-diene-6-carboxamide Openeye Name: 9-amino-7-[2-(4-bromoanilino)-2-oxo-ethyl]sulfanyl-10-cyano-8-azaspiro[4.5]deca-7,9-diene-6-carboxamide CAS Name: 9-amino-7-[[2-(4-bromoanilino)-2-oxoethyl]thio]-10-cyano-8-azaspiro[4.5]deca-7,9-diene-6-carboxamide IUPAC Name: 9-amino-7-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-10-cyano-8-azaspiro[4.5]deca-7,9-diene-6-carboxamide Traditional Name: 9-amino-7-[[2-(4-bromoanilino)-2-keto-ethyl]thio]-10-cyano-8-azaspiro[4.5]deca-7,9-diene-6-carboxamide Formula: C19H20BrN5O2S MolecularWeight: 462.3634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(C1)C(C(=NC(=C2C#N)N)SCC(=O)NC3=CC=C(C=C3)Br)C(=O)N

Isomeric SMILES

C1CCC2(C1)C(C(=NC(=C2C#N)N)SCC(=O)NC3=CC=C(C=C3)Br)C(=O)N

InChI

InChI=1S/C19H20BrN5O2S/c20-11-3-5-12(6-4-11)24-14(26)10-28-18-15(17(23)27)19(7-1-2-8-19)13(9-21)16(22)25-18/h3-6,15H,1-2,7-8,10,22H2,(H2,23,27)(H,24,26)