2-ethylsulfanyl-N-(phenylmethyl)-N-[(Z)-4-[1-(phenylsulfonyl)indol-2-yl]but-1-enyl]ethanamide

Systemtic Name: 2-ethylsulfanyl-N-(phenylmethyl)-N-[(Z)-4-[1-(phenylsulfonyl)indol-2-yl]but-1-enyl]ethanamide Openeye Name: N-[(Z)-4-[1-(benzenesulfonyl)indol-2-yl]but-1-enyl]-N-benzyl-2-ethylsulfanyl-acetamide CAS Name: N-[(Z)-4-[1-(benzenesulfonyl)-2-indolyl]but-1-enyl]-2-(ethylthio)-N-(phenylmethyl)acetamide IUPAC Name: N-[(Z)-4-[1-(benzenesulfonyl)indol-2-yl]but-1-enyl]-N-benzyl-2-ethylsulfanylacetamide Traditional Name: N-benzyl-N-[(Z)-4-(1-besylindol-2-yl)but-1-enyl]-2-(ethylthio)acetamide Formula: C29H30N2O3S2 MolecularWeight: 518.6901

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Descriptors Computed from Structure

Canonical SMILES:

CCSCC(=O)N(CC1=CC=CC=C1)C=CCCC2=CC3=CC=CC=C3N2S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CCSCC(=O)N(CC1=CC=CC=C1)/C=C\CCC2=CC3=CC=CC=C3N2S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C29H30N2O3S2/c1-2-35-23-29(32)30(22-24-13-5-3-6-14-24)20-12-11-16-26-21-25-15-9-10-19-28(25)31(26)36(33,34)27-17-7-4-8-18-27/h3-10,12-15,17-21H,2,11,16,22-23H2,1H3/b20-12-