1-(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)-3-(pyridin-3-ylcarbamothioylamino)thiourea

Systemtic Name: 1-(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)-3-(pyridin-3-ylcarbamothioylamino)thiourea Openeye Name: 1-(2-chloro-5-morpholinosulfonyl-phenyl)-3-(3-pyridylcarbamothioylamino)thiourea CAS Name: 1-[[[2-chloro-5-(4-morpholinylsulfonyl)anilino]-sulfanylidenemethyl]amino]-3-(3-pyridinyl)thiourea IUPAC Name: 1-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-3-(pyridin-3-ylcarbamothioylamino)thiourea Traditional Name: 1-(2-chloro-5-morpholinosulfonyl-phenyl)-3-(3-pyridylthiocarbamoylamino)thiourea Formula: C17H19ClN6O3S3 MolecularWeight: 487.01916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=S)NNC(=S)NC3=CN=CC=C3

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=S)NNC(=S)NC3=CN=CC=C3

InChI

InChI=1S/C17H19ClN6O3S3/c18-14-4-3-13(30(25,26)24-6-8-27-9-7-24)10-15(14)21-17(29)23-22-16(28)20-12-2-1-5-19-11-12/h1-5,10-11H,6-9H2,(H2,20,22,28)(H2,21,23,29)