(7-chloranyl-5-phenyl-2-sulfanylidene-1,3-dihydro-1,4-benzodiazepin-3-yl) phenyl carbonate

Systemtic Name: (7-chloranyl-5-phenyl-2-sulfanylidene-1,3-dihydro-1,4-benzodiazepin-3-yl) phenyl carbonate Openeye Name: (7-chloro-5-phenyl-2-thioxo-1,3-dihydro-1,4-benzodiazepin-3-yl) phenyl carbonate CAS Name: carbonic acid (7-chloro-5-phenyl-2-sulfanylidene-1,3-dihydro-1,4-benzodiazepin-3-yl) phenyl ester IUPAC Name: (7-chloro-5-phenyl-2-sulfanylidene-1,3-dihydro-1,4-benzodiazepin-3-yl) phenyl carbonate Traditional Name: carbonic acid (7-chloro-5-phenyl-2-thioxo-1,3-dihydro-1,4-benzodiazepin-3-yl) phenyl ester Formula: C22H15ClN2O3S MolecularWeight: 422.8841

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(C(=S)NC3=C2C=C(C=C3)Cl)OC(=O)OC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(C(=S)NC3=C2C=C(C=C3)Cl)OC(=O)OC4=CC=CC=C4

InChI

InChI=1S/C22H15ClN2O3S/c23-15-11-12-18-17(13-15)19(14-7-3-1-4-8-14)25-20(21(29)24-18)28-22(26)27-16-9-5-2-6-10-16/h1-13,20H,(H,24,29)