6-oxidanylidene-7-[(3-phenyl-2-sulfanylidene-propanoyl)amino]-1,2,3,4,7,8,9,10-octahydropyridazino[1,2-a][1,2]diazepine-4-carboxylic acid

Systemtic Name: 6-oxidanylidene-7-[(3-phenyl-2-sulfanylidene-propanoyl)amino]-1,2,3,4,7,8,9,10-octahydropyridazino[1,2-a][1,2]diazepine-4-carboxylic acid Openeye Name: 6-oxo-7-[(3-phenyl-2-thioxo-propanoyl)amino]-1,2,3,4,7,8,9,10-octahydropyridazino[1,2-a]diazepine-4-carboxylic acid CAS Name: 6-oxo-7-[(1-oxo-3-phenyl-2-sulfanylidenepropyl)amino]-1,2,3,4,7,8,9,10-octahydropyridazino[1,2-a]diazepine-4-carboxylic acid IUPAC Name: 6-oxo-7-[(3-phenyl-2-sulfanylidenepropanoyl)amino]-1,2,3,4,7,8,9,10-octahydropyridazino[1,2-a]diazepine-4-carboxylic acid Traditional Name: 6-keto-7-[(3-phenyl-2-thioxo-propanoyl)amino]-1,2,3,4,7,8,9,10-octahydropyridazino[1,2-a]diazepine-4-carboxylic acid Formula: C19H23N3O4S MolecularWeight: 389.46862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(=O)N2C(CCCN2C1)C(=O)O)NC(=O)C(=S)CC3=CC=CC=C3

Isomeric SMILES

C1CC(C(=O)N2C(CCCN2C1)C(=O)O)NC(=O)C(=S)CC3=CC=CC=C3

InChI

InChI=1S/C19H23N3O4S/c23-17(16(27)12-13-6-2-1-3-7-13)20-14-8-4-10-21-11-5-9-15(19(25)26)22(21)18(14)24/h1-3,6-7,14-15H,4-5,8-12H2,(H,20,23)(H,25,26)