4-[2-[(4-cyclopropyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzamide

Systemtic Name: 4-[2-[(4-cyclopropyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzamide Openeye Name: 4-[[2-[(4-cyclopropyl-5-morpholino-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide CAS Name: 4-[[2-[[4-cyclopropyl-5-(4-morpholinyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzamide IUPAC Name: 4-[[2-[(4-cyclopropyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide Traditional Name: 4-[[2-[(4-cyclopropyl-5-morpholino-1,2,4-triazol-3-yl)thio]acetyl]amino]benzamide Formula: C18H22N6O3S MolecularWeight: 402.47068

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)C(=O)N)N4CCOCC4

Isomeric SMILES

C1CC1N2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)C(=O)N)N4CCOCC4

InChI

InChI=1S/C18H22N6O3S/c19-16(26)12-1-3-13(4-2-12)20-15(25)11-28-18-22-21-17(24(18)14-5-6-14)23-7-9-27-10-8-23/h1-4,14H,5-11H2,(H2,19,26)(H,20,25)