3-[(4-methoxyphenyl)carbamoylamino]-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)propanamide

Systemtic Name: 3-[(4-methoxyphenyl)carbamoylamino]-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)propanamide Openeye Name: 3-[(4-methoxyphenyl)carbamoylamino]-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)propanamide CAS Name: 3-[[(4-methoxyanilino)-oxomethyl]amino]-N-[2-(1-pyrrolidinyl)-1,3-benzothiazol-6-yl]propanamide IUPAC Name: 3-[(4-methoxyphenyl)carbamoylamino]-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)propanamide Traditional Name: 3-[(4-methoxyphenyl)carbamoylamino]-N-(2-pyrrolidino-1,3-benzothiazol-6-yl)propionamide Formula: C22H25N5O3S MolecularWeight: 439.5306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N5O3S/c1-30-17-7-4-15(5-8-17)25-21(29)23-11-10-20(28)24-16-6-9-18-19(14-16)31-22(26-18)27-12-2-3-13-27/h4-9,14H,2-3,10-13H2,1H3,(H,24,28)(H2,23,25,29)