1-(3,4-dimethylphenyl)-3-[(2-methoxy-5-morpholin-4-ylsulfonyl-phenyl)carbonylamino]thiourea

Systemtic Name: 1-(3,4-dimethylphenyl)-3-[(2-methoxy-5-morpholin-4-ylsulfonyl-phenyl)carbonylamino]thiourea Openeye Name: 1-(3,4-dimethylphenyl)-3-[(2-methoxy-5-morpholinosulfonyl-benzoyl)amino]thiourea CAS Name: 1-(3,4-dimethylphenyl)-3-[[[2-methoxy-5-(4-morpholinylsulfonyl)phenyl]-oxomethyl]amino]thiourea IUPAC Name: 1-(3,4-dimethylphenyl)-3-[(2-methoxy-5-morpholin-4-ylsulfonylbenzoyl)amino]thiourea Traditional Name: 1-(3,4-dimethylphenyl)-3-[(2-methoxy-5-morpholinosulfonyl-benzoyl)amino]thiourea Formula: C21H26N4O5S2 MolecularWeight: 478.58494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)OC)C

InChI

InChI=1S/C21H26N4O5S2/c1-14-4-5-16(12-15(14)2)22-21(31)24-23-20(26)18-13-17(6-7-19(18)29-3)32(27,28)25-8-10-30-11-9-25/h4-7,12-13H,8-11H2,1-3H3,(H,23,26)(H2,22,24,31)