2-methoxy-N-[4-methylsulfanyl-1-oxidanylidene-1-[[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]amino]butan-2-yl]benzamide

Systemtic Name: 2-methoxy-N-[4-methylsulfanyl-1-oxidanylidene-1-[[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]amino]butan-2-yl]benzamide Openeye Name: 2-methoxy-N-[3-methylsulfanyl-1-[[4-(1-piperidylmethyl)thiazol-2-yl]carbamoyl]propyl]benzamide CAS Name: 2-methoxy-N-[4-(methylthio)-1-oxo-1-[[4-(1-piperidinylmethyl)-2-thiazolyl]amino]butan-2-yl]benzamide IUPAC Name: 2-methoxy-N-[4-methylsulfanyl-1-oxo-1-[[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]amino]butan-2-yl]benzamide Traditional Name: 2-methoxy-N-[3-(methylthio)-1-[[4-(piperidinomethyl)thiazol-2-yl]carbamoyl]propyl]benzamide Formula: C22H30N4O3S2 MolecularWeight: 462.6286

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NC(CCSC)C(=O)NC2=NC(=CS2)CN3CCCCC3

Isomeric SMILES

COC1=CC=CC=C1C(=O)NC(CCSC)C(=O)NC2=NC(=CS2)CN3CCCCC3

InChI

InChI=1S/C22H30N4O3S2/c1-29-19-9-5-4-8-17(19)20(27)24-18(10-13-30-2)21(28)25-22-23-16(15-31-22)14-26-11-6-3-7-12-26/h4-5,8-9,15,18H,3,6-7,10-14H2,1-2H3,(H,24,27)(H,23,25,28)