4-(2-azanyl-2-oxidanylidene-ethoxy)-3-methoxy-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)benzamide

Systemtic Name: 4-(2-azanyl-2-oxidanylidene-ethoxy)-3-methoxy-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)benzamide Openeye Name: 4-(2-amino-2-oxo-ethoxy)-3-methoxy-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)benzamide CAS Name: 4-(2-amino-2-oxoethoxy)-3-methoxy-N-[2-(1-pyrrolidinyl)-1,3-benzothiazol-6-yl]benzamide IUPAC Name: 4-(2-amino-2-oxoethoxy)-3-methoxy-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)benzamide Traditional Name: 4-(2-amino-2-keto-ethoxy)-3-methoxy-N-(2-pyrrolidino-1,3-benzothiazol-6-yl)benzamide Formula: C21H22N4O4S MolecularWeight: 426.48878

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)N4CCCC4)OCC(=O)N

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)N4CCCC4)OCC(=O)N

InChI

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