N-[2-[3-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanylindol-1-yl]ethyl]-4-methyl-benzamide

Systemtic Name: N-[2-[3-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanylindol-1-yl]ethyl]-4-methyl-benzamide Openeye Name: N-[2-[3-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]sulfanylindol-1-yl]ethyl]-4-methyl-benzamide CAS Name: N-[2-[3-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]thio]-1-indolyl]ethyl]-4-methylbenzamide IUPAC Name: N-[2-[3-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]-4-methylbenzamide Traditional Name: N-[2-[3-[[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]thio]indol-1-yl]ethyl]-4-methyl-benzamide Formula: C27H25N3O4S MolecularWeight: 487.5701

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NCCN2C=C(C3=CC=CC=C32)SCC(=O)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NCCN2C=C(C3=CC=CC=C32)SCC(=O)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C27H25N3O4S/c1-18-6-8-19(9-7-18)27(32)28-12-13-30-15-25(21-4-2-3-5-22(21)30)35-16-26(31)29-20-10-11-23-24(14-20)34-17-33-23/h2-11,14-15H,12-13,16-17H2,1H3,(H,28,32)(H,29,31)