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

Systemtic Name: 1-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxidanylidene-pyrrolidin-3-yl]-3-(6-methyl-1,3-benzothiazol-2-yl)urea Openeye Name: 1-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxo-pyrrolidin-3-yl]-3-(6-methyl-1,3-benzothiazol-2-yl)urea CAS Name: 1-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxo-3-pyrrolidinyl]-3-(6-methyl-1,3-benzothiazol-2-yl)urea IUPAC Name: 1-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(6-methyl-1,3-benzothiazol-2-yl)urea Traditional Name: 1-[(3S)-1-(3,4-dimethoxyphenyl)-5-keto-pyrrolidin-3-yl]-3-(6-methyl-1,3-benzothiazol-2-yl)urea Formula: C21H22N4O4S MolecularWeight: 426.48878

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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)OC)OC

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)N[C@H]3CC(=O)N(C3)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C21H22N4O4S/c1-12-4-6-15-18(8-12)30-21(23-15)24-20(27)22-13-9-19(26)25(11-13)14-5-7-16(28-2)17(10-14)29-3/h4-8,10,13H,9,11H2,1-3H3,(H2,22,23,24,27)/t13-/m0/s1