4-[[(E)-but-2-enoyl]amino]-5-chloranyl-N-(2-diethylaminoethyl)-2-(2-phenylsulfanylethoxy)benzamide

Systemtic Name: 4-[[(E)-but-2-enoyl]amino]-5-chloranyl-N-(2-diethylaminoethyl)-2-(2-phenylsulfanylethoxy)benzamide Openeye Name: 4-[[(E)-but-2-enoyl]amino]-5-chloro-N-(2-diethylaminoethyl)-2-(2-phenylsulfanylethoxy)benzamide CAS Name: 5-chloro-N-(2-diethylaminoethyl)-4-[[(E)-1-oxobut-2-enyl]amino]-2-[2-(phenylthio)ethoxy]benzamide IUPAC Name: 4-[[(E)-but-2-enoyl]amino]-5-chloro-N-(2-diethylaminoethyl)-2-(2-phenylsulfanylethoxy)benzamide Traditional Name: 4-[[(E)-but-2-enoyl]amino]-5-chloro-N-(2-diethylaminoethyl)-2-[2-(phenylthio)ethoxy]benzamide Formula: C25H32ClN3O3S MolecularWeight: 490.05788

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC(=O)C1=CC(=C(C=C1OCCSC2=CC=CC=C2)NC(=O)C=CC)Cl

Isomeric SMILES

CCN(CC)CCNC(=O)C1=CC(=C(C=C1OCCSC2=CC=CC=C2)NC(=O)/C=C/C)Cl

InChI

InChI=1S/C25H32ClN3O3S/c1-4-10-24(30)28-22-18-23(32-15-16-33-19-11-8-7-9-12-19)20(17-21(22)26)25(31)27-13-14-29(5-2)6-3/h4,7-12,17-18H,5-6,13-16H2,1-3H3,(H,27,31)(H,28,30)/b10-4+