3-[2-[(5-bromanylthiophen-2-yl)methyl-ethyl-amino]ethanoylamino]-N-cyclopropyl-benzamide

Systemtic Name: 3-[2-[(5-bromanylthiophen-2-yl)methyl-ethyl-amino]ethanoylamino]-N-cyclopropyl-benzamide Openeye Name: 3-[[2-[(5-bromo-2-thienyl)methyl-ethyl-amino]acetyl]amino]-N-cyclopropyl-benzamide CAS Name: 3-[[2-[(5-bromo-2-thiophenyl)methyl-ethylamino]-1-oxoethyl]amino]-N-cyclopropylbenzamide IUPAC Name: 3-[[2-[(5-bromothiophen-2-yl)methyl-ethylamino]acetyl]amino]-N-cyclopropylbenzamide Traditional Name: 3-[[2-[(5-bromo-2-thienyl)methyl-ethyl-amino]acetyl]amino]-N-cyclopropyl-benzamide Formula: C19H22BrN3O2S MolecularWeight: 436.36588

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=C(S1)Br)CC(=O)NC2=CC=CC(=C2)C(=O)NC3CC3

Isomeric SMILES

CCN(CC1=CC=C(S1)Br)CC(=O)NC2=CC=CC(=C2)C(=O)NC3CC3

InChI

InChI=1S/C19H22BrN3O2S/c1-2-23(11-16-8-9-17(20)26-16)12-18(24)21-15-5-3-4-13(10-15)19(25)22-14-6-7-14/h3-5,8-10,14H,2,6-7,11-12H2,1H3,(H,21,24)(H,22,25)