1-(3,4-dimethylphenyl)-3-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)thiourea

Systemtic Name: 1-(3,4-dimethylphenyl)-3-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)thiourea Openeye Name: 1-(3,4-dimethylphenyl)-3-(2-morpholino-1,3-benzothiazol-6-yl)thiourea CAS Name: 1-(3,4-dimethylphenyl)-3-[2-(4-morpholinyl)-1,3-benzothiazol-6-yl]thiourea IUPAC Name: 1-(3,4-dimethylphenyl)-3-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)thiourea Traditional Name: 1-(3,4-dimethylphenyl)-3-(2-morpholino-1,3-benzothiazol-6-yl)thiourea Formula: C20H22N4OS2 MolecularWeight: 398.54488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NC2=CC3=C(C=C2)N=C(S3)N4CCOCC4)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NC2=CC3=C(C=C2)N=C(S3)N4CCOCC4)C

InChI

InChI=1S/C20H22N4OS2/c1-13-3-4-15(11-14(13)2)21-19(26)22-16-5-6-17-18(12-16)27-20(23-17)24-7-9-25-10-8-24/h3-6,11-12H,7-10H2,1-2H3,(H2,21,22,26)