2-methoxy-N-[4-methylsulfanyl-1-oxidanylidene-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]butan-2-yl]benzamide

Systemtic Name: 2-methoxy-N-[4-methylsulfanyl-1-oxidanylidene-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]butan-2-yl]benzamide Openeye Name: 2-methoxy-N-[3-methylsulfanyl-1-[4-(2-thienylmethyl)piperazine-1-carbonyl]propyl]benzamide CAS Name: 2-methoxy-N-[4-(methylthio)-1-oxo-1-[4-(thiophen-2-ylmethyl)-1-piperazinyl]butan-2-yl]benzamide IUPAC Name: 2-methoxy-N-[4-methylsulfanyl-1-oxo-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]butan-2-yl]benzamide Traditional Name: 2-methoxy-N-[3-(methylthio)-1-[4-(2-thenyl)piperazine-1-carbonyl]propyl]benzamide Formula: C22H29N3O3S2 MolecularWeight: 447.61396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NC(CCSC)C(=O)N2CCN(CC2)CC3=CC=CS3

Isomeric SMILES

COC1=CC=CC=C1C(=O)NC(CCSC)C(=O)N2CCN(CC2)CC3=CC=CS3

InChI

InChI=1S/C22H29N3O3S2/c1-28-20-8-4-3-7-18(20)21(26)23-19(9-15-29-2)22(27)25-12-10-24(11-13-25)16-17-6-5-14-30-17/h3-8,14,19H,9-13,15-16H2,1-2H3,(H,23,26)