2-(3-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)thiolane; N-prop-2-enylprop-2-en-1-amine

Systemtic Name: 2-(3-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)thiolane; N-prop-2-enylprop-2-en-1-amine Openeye Name: N-allylprop-2-en-1-amine; 2-(3-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)tetrahydrothiophene CAS Name: 2-(3-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)thiolane; N-prop-2-enyl-2-propen-1-amine IUPAC Name: 2-(3-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)thiolane; N-prop-2-enylprop-2-en-1-amine Traditional Name: diallylamine; 2-(3-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)tetrahydrothiophene Formula: C26H35NO4S MolecularWeight: 457.6254

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2CCC(S2)C3=CC(=C(C(=C3)OC)OC)OC.C=CCNCC=C

Isomeric SMILES

COC1=CC=CC(=C1)C2CCC(S2)C3=CC(=C(C(=C3)OC)OC)OC.C=CCNCC=C

InChI

InChI=1S/C20H24O4S.C6H11N/c1-21-15-7-5-6-13(10-15)18-8-9-19(25-18)14-11-16(22-2)20(24-4)17(12-14)23-3;1-3-5-7-6-4-2/h5-7,10-12,18-19H,8-9H2,1-4H3;3-4,7H,1-2,5-6H2