1-[2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoylamino]-3-(4-morpholin-4-ylsulfonylphenyl)thiourea

Systemtic Name: 1-[2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoylamino]-3-(4-morpholin-4-ylsulfonylphenyl)thiourea Openeye Name: 1-[[2-(4-bromo-2,5-dimethyl-phenyl)sulfanylacetyl]amino]-3-(4-morpholinosulfonylphenyl)thiourea CAS Name: 1-[[2-[(4-bromo-2,5-dimethylphenyl)thio]-1-oxoethyl]amino]-3-[4-(4-morpholinylsulfonyl)phenyl]thiourea IUPAC Name: 1-[[2-(4-bromo-2,5-dimethylphenyl)sulfanylacetyl]amino]-3-(4-morpholin-4-ylsulfonylphenyl)thiourea Traditional Name: 1-[[2-[(4-bromo-2,5-dimethyl-phenyl)thio]acetyl]amino]-3-(4-morpholinosulfonylphenyl)thiourea Formula: C21H25BrN4O4S3 MolecularWeight: 573.5466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C)SCC(=O)NNC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=CC(=C(C=C1Br)C)SCC(=O)NNC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C21H25BrN4O4S3/c1-14-12-19(15(2)11-18(14)22)32-13-20(27)24-25-21(31)23-16-3-5-17(6-4-16)33(28,29)26-7-9-30-10-8-26/h3-6,11-12H,7-10,13H2,1-2H3,(H,24,27)(H2,23,25,31)