3-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]ethanoylamino]-N-cyclopropyl-benzamide

Systemtic Name: 3-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]ethanoylamino]-N-cyclopropyl-benzamide Openeye Name: 3-[[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]acetyl]amino]-N-cyclopropyl-benzamide CAS Name: 3-[[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-1-oxoethyl]amino]-N-cyclopropylbenzamide IUPAC Name: 3-[[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]acetyl]amino]-N-cyclopropylbenzamide Traditional Name: 3-[[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]acetyl]amino]-N-cyclopropyl-benzamide Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC2=CC=CC=C2S1)CC(=O)NC3=CC=CC(=C3)C(=O)NC4CC4

Isomeric SMILES

CN(CC1=NC2=CC=CC=C2S1)CC(=O)NC3=CC=CC(=C3)C(=O)NC4CC4

InChI

InChI=1S/C21H22N4O2S/c1-25(13-20-24-17-7-2-3-8-18(17)28-20)12-19(26)22-16-6-4-5-14(11-16)21(27)23-15-9-10-15/h2-8,11,15H,9-10,12-13H2,1H3,(H,22,26)(H,23,27)