1-(5-cyclohexyl-1-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl)-3-[3-(2-oxidanyl-4-oxidanylidene-thiophen-3-yl)phenyl]urea

Systemtic Name: 1-(5-cyclohexyl-1-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl)-3-[3-(2-oxidanyl-4-oxidanylidene-thiophen-3-yl)phenyl]urea Openeye Name: 1-(5-cyclohexyl-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl)-3-[3-(2-hydroxy-4-oxo-3-thienyl)phenyl]urea CAS Name: 1-(5-cyclohexyl-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl)-3-[3-(2-hydroxy-4-oxo-3-thiophenyl)phenyl]urea IUPAC Name: 1-(5-cyclohexyl-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl)-3-[3-(2-hydroxy-4-oxothiophen-3-yl)phenyl]urea Traditional Name: 1-(5-cyclohexyl-2-keto-1-methyl-3H-1,4-benzodiazepin-3-yl)-3-[3-(2-hydroxy-4-keto-3-thienyl)phenyl]urea Formula: C27H28N4O4S MolecularWeight: 504.60062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)NC3=CC=CC(=C3)C4=C(SCC4=O)O)C5CCCCC5

Isomeric SMILES

CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)NC3=CC=CC(=C3)C4=C(SCC4=O)O)C5CCCCC5

InChI

InChI=1S/C27H28N4O4S/c1-31-20-13-6-5-12-19(20)23(16-8-3-2-4-9-16)29-24(25(31)33)30-27(35)28-18-11-7-10-17(14-18)22-21(32)15-36-26(22)34/h5-7,10-14,16,24,34H,2-4,8-9,15H2,1H3,(H2,28,30,35)