1-(3,5-dimethylphenyl)-3-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)thiourea

Systemtic Name: 1-(3,5-dimethylphenyl)-3-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)thiourea Openeye Name: 1-(3,5-dimethylphenyl)-3-(2-morpholino-1,3-benzothiazol-6-yl)thiourea CAS Name: 1-(3,5-dimethylphenyl)-3-[2-(4-morpholinyl)-1,3-benzothiazol-6-yl]thiourea IUPAC Name: 1-(3,5-dimethylphenyl)-3-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)thiourea Traditional Name: 1-(3,5-dimethylphenyl)-3-(2-morpholino-1,3-benzothiazol-6-yl)thiourea Formula: C20H22N4OS2 MolecularWeight: 398.54488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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