3-[2-(1,3-benzothiazol-2-ylamino)propanoylamino]-4-pyrrolidin-1-yl-benzamide

Systemtic Name: 3-[2-(1,3-benzothiazol-2-ylamino)propanoylamino]-4-pyrrolidin-1-yl-benzamide Openeye Name: 3-[2-(1,3-benzothiazol-2-ylamino)propanoylamino]-4-pyrrolidin-1-yl-benzamide CAS Name: 3-[[2-(1,3-benzothiazol-2-ylamino)-1-oxopropyl]amino]-4-(1-pyrrolidinyl)benzamide IUPAC Name: 3-[2-(1,3-benzothiazol-2-ylamino)propanoylamino]-4-pyrrolidin-1-ylbenzamide Traditional Name: 3-[2-(1,3-benzothiazol-2-ylamino)propanoylamino]-4-pyrrolidino-benzamide Formula: C21H23N5O2S MolecularWeight: 409.50462

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)C(=O)N)N2CCCC2)NC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)C(=O)N)N2CCCC2)NC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H23N5O2S/c1-13(23-21-25-15-6-2-3-7-18(15)29-21)20(28)24-16-12-14(19(22)27)8-9-17(16)26-10-4-5-11-26/h2-3,6-9,12-13H,4-5,10-11H2,1H3,(H2,22,27)(H,23,25)(H,24,28)