ethyl 3-[[2-[(5-methylfuran-2-yl)methylamino]phenyl]carbamothioylamino]pyrrolidine-1-carboxylate

Systemtic Name: ethyl 3-[[2-[(5-methylfuran-2-yl)methylamino]phenyl]carbamothioylamino]pyrrolidine-1-carboxylate Openeye Name: ethyl 3-[[2-[(5-methyl-2-furyl)methylamino]phenyl]carbamothioylamino]pyrrolidine-1-carboxylate CAS Name: 3-[[[2-[(5-methyl-2-furanyl)methylamino]anilino]-sulfanylidenemethyl]amino]-1-pyrrolidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[2-[(5-methylfuran-2-yl)methylamino]phenyl]carbamothioylamino]pyrrolidine-1-carboxylate Traditional Name: 3-[[2-[(5-methyl-2-furyl)methylamino]phenyl]thiocarbamoylamino]pyrrolidine-1-carboxylic acid ethyl ester Formula: C20H26N4O3S MolecularWeight: 402.51044

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(C1)NC(=S)NC2=CC=CC=C2NCC3=CC=C(O3)C

Isomeric SMILES

CCOC(=O)N1CCC(C1)NC(=S)NC2=CC=CC=C2NCC3=CC=C(O3)C

InChI

InChI=1S/C20H26N4O3S/c1-3-26-20(25)24-11-10-15(13-24)22-19(28)23-18-7-5-4-6-17(18)21-12-16-9-8-14(2)27-16/h4-9,15,21H,3,10-13H2,1-2H3,(H2,22,23,28)