N-(1,3-benzodioxol-5-ylmethyl)-4-(3-methoxyphenyl)-1-(propan-2-ylcarbamothioyl)pyrrolidine-3-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(3-methoxyphenyl)-1-(propan-2-ylcarbamothioyl)pyrrolidine-3-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(isopropylcarbamothioyl)-4-(3-methoxyphenyl)pyrrolidine-3-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(3-methoxyphenyl)-1-[(propan-2-ylamino)-sulfanylidenemethyl]-3-pyrrolidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(3-methoxyphenyl)-1-(propan-2-ylcarbamothioyl)pyrrolidine-3-carboxamide Traditional Name: 1-(isopropylthiocarbamoyl)-4-(3-methoxyphenyl)-N-piperonyl-pyrrolidine-3-carboxamide Formula: C24H29N3O4S MolecularWeight: 455.56976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29N3O4S/c1-15(2)26-24(32)27-12-19(17-5-4-6-18(10-17)29-3)20(13-27)23(28)25-11-16-7-8-21-22(9-16)31-14-30-21/h4-10,15,19-20H,11-14H2,1-3H3,(H,25,28)(H,26,32)