1-(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)-3-[(E)-(4-cyanophenyl)methylideneamino]thiourea

Systemtic Name: 1-(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)-3-[(E)-(4-cyanophenyl)methylideneamino]thiourea Openeye Name: 1-(2-chloro-5-morpholinosulfonyl-phenyl)-3-[(E)-(4-cyanophenyl)methyleneamino]thiourea CAS Name: 1-[2-chloro-5-(4-morpholinylsulfonyl)phenyl]-3-[(E)-(4-cyanophenyl)methylideneamino]thiourea IUPAC Name: 1-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-3-[(E)-(4-cyanophenyl)methylideneamino]thiourea Traditional Name: 1-(2-chloro-5-morpholinosulfonyl-phenyl)-3-[(E)-(4-cyanobenzylidene)amino]thiourea Formula: C19H18ClN5O3S2 MolecularWeight: 463.96092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=S)NN=CC3=CC=C(C=C3)C#N

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=S)N/N=C/C3=CC=C(C=C3)C#N

InChI

InChI=1S/C19H18ClN5O3S2/c20-17-6-5-16(30(26,27)25-7-9-28-10-8-25)11-18(17)23-19(29)24-22-13-15-3-1-14(12-21)2-4-15/h1-6,11,13H,7-10H2,(H2,23,24,29)/b22-13+