N-(1,3-benzodioxol-5-ylmethyl)-1-(ethylcarbamothioyl)-4-(3-methoxyphenyl)pyrrolidine-3-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(ethylcarbamothioyl)-4-(3-methoxyphenyl)pyrrolidine-3-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(ethylcarbamothioyl)-4-(3-methoxyphenyl)pyrrolidine-3-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-1-[ethylamino(sulfanylidene)methyl]-4-(3-methoxyphenyl)-3-pyrrolidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(ethylcarbamothioyl)-4-(3-methoxyphenyl)pyrrolidine-3-carboxamide Traditional Name: 1-(ethylthiocarbamoyl)-4-(3-methoxyphenyl)-N-piperonyl-pyrrolidine-3-carboxamide Formula: C23H27N3O4S MolecularWeight: 441.54318

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)N1CC(C(C1)C(=O)NCC2=CC3=C(C=C2)OCO3)C4=CC(=CC=C4)OC

Isomeric SMILES

CCNC(=S)N1CC(C(C1)C(=O)NCC2=CC3=C(C=C2)OCO3)C4=CC(=CC=C4)OC

InChI

InChI=1S/C23H27N3O4S/c1-3-24-23(31)26-12-18(16-5-4-6-17(10-16)28-2)19(13-26)22(27)25-11-15-7-8-20-21(9-15)30-14-29-20/h4-10,18-19H,3,11-14H2,1-2H3,(H,24,31)(H,25,27)