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

Systemtic Name: 1-[(3S)-1-(3,4-dimethylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]-3-(6-ethoxy-1,3-benzothiazol-2-yl)urea Openeye Name: 1-[(3S)-1-(3,4-dimethylphenyl)-5-oxo-pyrrolidin-3-yl]-3-(6-ethoxy-1,3-benzothiazol-2-yl)urea CAS Name: 1-[(3S)-1-(3,4-dimethylphenyl)-5-oxo-3-pyrrolidinyl]-3-(6-ethoxy-1,3-benzothiazol-2-yl)urea IUPAC Name: 1-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-(6-ethoxy-1,3-benzothiazol-2-yl)urea Traditional Name: 1-[(3S)-1-(3,4-dimethylphenyl)-5-keto-pyrrolidin-3-yl]-3-(6-ethoxy-1,3-benzothiazol-2-yl)urea Formula: C22H24N4O3S MolecularWeight: 424.51596

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)NC3CC(=O)N(C3)C4=CC(=C(C=C4)C)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)N[C@H]3CC(=O)N(C3)C4=CC(=C(C=C4)C)C

InChI

InChI=1S/C22H24N4O3S/c1-4-29-17-7-8-18-19(11-17)30-22(24-18)25-21(28)23-15-10-20(27)26(12-15)16-6-5-13(2)14(3)9-16/h5-9,11,15H,4,10,12H2,1-3H3,(H2,23,24,25,28)/t15-/m0/s1