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

Systemtic Name: 1-(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)-3-(ethylcarbamothioylamino)thiourea Openeye Name: 1-(2-chloro-5-morpholinosulfonyl-phenyl)-3-(ethylcarbamothioylamino)thiourea CAS Name: 1-[[[2-chloro-5-(4-morpholinylsulfonyl)anilino]-sulfanylidenemethyl]amino]-3-ethylthiourea IUPAC Name: 1-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-3-(ethylcarbamothioylamino)thiourea Traditional Name: 1-(2-chloro-5-morpholinosulfonyl-phenyl)-3-(ethylthiocarbamoylamino)thiourea Formula: C14H20ClN5O3S3 MolecularWeight: 437.9883

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)NNC(=S)NC1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)Cl

Isomeric SMILES

CCNC(=S)NNC(=S)NC1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)Cl

InChI

InChI=1S/C14H20ClN5O3S3/c1-2-16-13(24)18-19-14(25)17-12-9-10(3-4-11(12)15)26(21,22)20-5-7-23-8-6-20/h3-4,9H,2,5-8H2,1H3,(H2,16,18,24)(H2,17,19,25)