ethyl 4-[[2-[(5-methylfuran-2-yl)methylamino]phenyl]carbamothioylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[2-[(5-methylfuran-2-yl)methylamino]phenyl]carbamothioylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[2-[(5-methyl-2-furyl)methylamino]phenyl]carbamothioylamino]piperidine-1-carboxylate CAS Name: 4-[[[2-[(5-methyl-2-furanyl)methylamino]anilino]-sulfanylidenemethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-[(5-methylfuran-2-yl)methylamino]phenyl]carbamothioylamino]piperidine-1-carboxylate Traditional Name: 4-[[2-[(5-methyl-2-furyl)methylamino]phenyl]thiocarbamoylamino]piperidine-1-carboxylic acid ethyl ester Formula: C21H28N4O3S MolecularWeight: 416.53702

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=S)NC2=CC=CC=C2NCC3=CC=C(O3)C

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=S)NC2=CC=CC=C2NCC3=CC=C(O3)C

InChI

InChI=1S/C21H28N4O3S/c1-3-27-21(26)25-12-10-16(11-13-25)23-20(29)24-19-7-5-4-6-18(19)22-14-17-9-8-15(2)28-17/h4-9,16,22H,3,10-14H2,1-2H3,(H2,23,24,29)