N-(cyclopropylmethyl)-4-(2,3-dimethoxyphenyl)-1-(propan-2-ylcarbamothioyl)pyrrolidine-3-carboxamide

Systemtic Name: N-(cyclopropylmethyl)-4-(2,3-dimethoxyphenyl)-1-(propan-2-ylcarbamothioyl)pyrrolidine-3-carboxamide Openeye Name: N-(cyclopropylmethyl)-4-(2,3-dimethoxyphenyl)-1-(isopropylcarbamothioyl)pyrrolidine-3-carboxamide CAS Name: N-(cyclopropylmethyl)-4-(2,3-dimethoxyphenyl)-1-[(propan-2-ylamino)-sulfanylidenemethyl]-3-pyrrolidinecarboxamide IUPAC Name: N-(cyclopropylmethyl)-4-(2,3-dimethoxyphenyl)-1-(propan-2-ylcarbamothioyl)pyrrolidine-3-carboxamide Traditional Name: N-(cyclopropylmethyl)-4-(2,3-dimethoxyphenyl)-1-(isopropylthiocarbamoyl)pyrrolidine-3-carboxamide Formula: C21H31N3O3S MolecularWeight: 405.55414

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=S)N1CC(C(C1)C(=O)NCC2CC2)C3=C(C(=CC=C3)OC)OC

Isomeric SMILES

CC(C)NC(=S)N1CC(C(C1)C(=O)NCC2CC2)C3=C(C(=CC=C3)OC)OC

InChI

InChI=1S/C21H31N3O3S/c1-13(2)23-21(28)24-11-16(15-6-5-7-18(26-3)19(15)27-4)17(12-24)20(25)22-10-14-8-9-14/h5-7,13-14,16-17H,8-12H2,1-4H3,(H,22,25)(H,23,28)