1-[1-(3,4-dimethylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]-3-(6-methyl-1,3-benzothiazol-2-yl)urea

Systemtic Name: 1-[1-(3,4-dimethylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]-3-(6-methyl-1,3-benzothiazol-2-yl)urea Openeye Name: 1-[1-(3,4-dimethylphenyl)-5-oxo-pyrrolidin-3-yl]-3-(6-methyl-1,3-benzothiazol-2-yl)urea CAS Name: 1-[1-(3,4-dimethylphenyl)-5-oxo-3-pyrrolidinyl]-3-(6-methyl-1,3-benzothiazol-2-yl)urea IUPAC Name: 1-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-(6-methyl-1,3-benzothiazol-2-yl)urea Traditional Name: 1-[1-(3,4-dimethylphenyl)-5-keto-pyrrolidin-3-yl]-3-(6-methyl-1,3-benzothiazol-2-yl)urea Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=O)NC3CC(=O)N(C3)C4=CC(=C(C=C4)C)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)NC3CC(=O)N(C3)C4=CC(=C(C=C4)C)C

InChI

InChI=1S/C21H22N4O2S/c1-12-4-7-17-18(8-12)28-21(23-17)24-20(27)22-15-10-19(26)25(11-15)16-6-5-13(2)14(3)9-16/h4-9,15H,10-11H2,1-3H3,(H2,22,23,24,27)