ethyl 4-[[furan-2-ylmethyl(3-pyrrolidin-1-ylpropyl)carbamothioyl]amino]benzoate

Systemtic Name: ethyl 4-[[furan-2-ylmethyl(3-pyrrolidin-1-ylpropyl)carbamothioyl]amino]benzoate Openeye Name: ethyl 4-[[2-furylmethyl(3-pyrrolidin-1-ylpropyl)carbamothioyl]amino]benzoate CAS Name: 4-[[[2-furanylmethyl-[3-(1-pyrrolidinyl)propyl]amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[furan-2-ylmethyl(3-pyrrolidin-1-ylpropyl)carbamothioyl]amino]benzoate Traditional Name: 4-[[2-furfuryl(3-pyrrolidinopropyl)thiocarbamoyl]amino]benzoic acid ethyl ester Formula: C22H29N3O3S MolecularWeight: 415.54896

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)N(CCCN2CCCC2)CC3=CC=CO3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)N(CCCN2CCCC2)CC3=CC=CO3

InChI

InChI=1S/C22H29N3O3S/c1-2-27-21(26)18-8-10-19(11-9-18)23-22(29)25(17-20-7-5-16-28-20)15-6-14-24-12-3-4-13-24/h5,7-11,16H,2-4,6,12-15,17H2,1H3,(H,23,29)