3-phenylpropyl 5-[[4-(furan-2-ylmethylcarbamoyl)phenyl]carbamothioylamino]-5-oxidanylidene-pentanoate

Systemtic Name: 3-phenylpropyl 5-[[4-(furan-2-ylmethylcarbamoyl)phenyl]carbamothioylamino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[[4-(2-furylmethylcarbamoyl)phenyl]carbamothioylamino]-5-oxo-pentanoate CAS Name: 5-[[[4-[(2-furanylmethylamino)-oxomethyl]anilino]-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[[4-(furan-2-ylmethylcarbamoyl)phenyl]carbamothioylamino]-5-oxopentanoate Traditional Name: 5-[[4-(2-furfurylcarbamoyl)phenyl]thiocarbamoylamino]-5-keto-valeric acid 3-phenylpropyl ester Formula: C27H29N3O5S MolecularWeight: 507.60126

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCOC(=O)CCCC(=O)NC(=S)NC2=CC=C(C=C2)C(=O)NCC3=CC=CO3

Isomeric SMILES

C1=CC=C(C=C1)CCCOC(=O)CCCC(=O)NC(=S)NC2=CC=C(C=C2)C(=O)NCC3=CC=CO3

InChI

InChI=1S/C27H29N3O5S/c31-24(11-4-12-25(32)35-18-5-9-20-7-2-1-3-8-20)30-27(36)29-22-15-13-21(14-16-22)26(33)28-19-23-10-6-17-34-23/h1-3,6-8,10,13-17H,4-5,9,11-12,18-19H2,(H,28,33)(H2,29,30,31,36)