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

Systemtic Name: 1-(6-ethoxy-1,3-benzothiazol-2-yl)-3-[1-(4-methylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]urea Openeye Name: 1-(6-ethoxy-1,3-benzothiazol-2-yl)-3-[5-oxo-1-(p-tolyl)pyrrolidin-3-yl]urea CAS Name: 1-(6-ethoxy-1,3-benzothiazol-2-yl)-3-[1-(4-methylphenyl)-5-oxo-3-pyrrolidinyl]urea IUPAC Name: 1-(6-ethoxy-1,3-benzothiazol-2-yl)-3-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea Traditional Name: 1-(6-ethoxy-1,3-benzothiazol-2-yl)-3-[5-keto-1-(p-tolyl)pyrrolidin-3-yl]urea Formula: C21H22N4O3S MolecularWeight: 410.48938

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O3S/c1-3-28-16-8-9-17-18(11-16)29-21(23-17)24-20(27)22-14-10-19(26)25(12-14)15-6-4-13(2)5-7-15/h4-9,11,14H,3,10,12H2,1-2H3,(H2,22,23,24,27)