2-methoxy-N-[4-methylsulfanyl-1-oxidanylidene-1-[(2-pyrrolidin-1-yl-2-thiophen-2-yl-ethyl)amino]butan-2-yl]benzamide

Systemtic Name: 2-methoxy-N-[4-methylsulfanyl-1-oxidanylidene-1-[(2-pyrrolidin-1-yl-2-thiophen-2-yl-ethyl)amino]butan-2-yl]benzamide Openeye Name: 2-methoxy-N-[3-methylsulfanyl-1-[[2-pyrrolidin-1-yl-2-(2-thienyl)ethyl]carbamoyl]propyl]benzamide CAS Name: 2-methoxy-N-[4-(methylthio)-1-oxo-1-[[2-(1-pyrrolidinyl)-2-thiophen-2-ylethyl]amino]butan-2-yl]benzamide IUPAC Name: 2-methoxy-N-[4-methylsulfanyl-1-oxo-1-[(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)amino]butan-2-yl]benzamide Traditional Name: 2-methoxy-N-[3-(methylthio)-1-[[2-pyrrolidino-2-(2-thienyl)ethyl]carbamoyl]propyl]benzamide Formula: C23H31N3O3S2 MolecularWeight: 461.64054

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NC(CCSC)C(=O)NCC(C2=CC=CS2)N3CCCC3

Isomeric SMILES

COC1=CC=CC=C1C(=O)NC(CCSC)C(=O)NCC(C2=CC=CS2)N3CCCC3

InChI

InChI=1S/C23H31N3O3S2/c1-29-20-9-4-3-8-17(20)22(27)25-18(11-15-30-2)23(28)24-16-19(21-10-7-14-31-21)26-12-5-6-13-26/h3-4,7-10,14,18-19H,5-6,11-13,15-16H2,1-2H3,(H,24,28)(H,25,27)