3-[2-(1,3-benzothiazol-2-ylmethylsulfanyl)ethanoylamino]-4-pyrrolidin-1-yl-benzamide

Systemtic Name: 3-[2-(1,3-benzothiazol-2-ylmethylsulfanyl)ethanoylamino]-4-pyrrolidin-1-yl-benzamide Openeye Name: 3-[[2-(1,3-benzothiazol-2-ylmethylsulfanyl)acetyl]amino]-4-pyrrolidin-1-yl-benzamide CAS Name: 3-[[2-(1,3-benzothiazol-2-ylmethylthio)-1-oxoethyl]amino]-4-(1-pyrrolidinyl)benzamide IUPAC Name: 3-[[2-(1,3-benzothiazol-2-ylmethylsulfanyl)acetyl]amino]-4-pyrrolidin-1-ylbenzamide Traditional Name: 3-[[2-(1,3-benzothiazol-2-ylmethylthio)acetyl]amino]-4-pyrrolidino-benzamide Formula: C21H22N4O2S2 MolecularWeight: 426.55498

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)N)NC(=O)CSCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)N)NC(=O)CSCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H22N4O2S2/c22-21(27)14-7-8-17(25-9-3-4-10-25)16(11-14)23-19(26)12-28-13-20-24-15-5-1-2-6-18(15)29-20/h1-2,5-8,11H,3-4,9-10,12-13H2,(H2,22,27)(H,23,26)