3-phenylpropyl 2-[3-oxidanylidene-1-[(4-propoxyphenyl)carbonylcarbamothioyl]piperazin-2-yl]ethanoate

Systemtic Name: 3-phenylpropyl 2-[3-oxidanylidene-1-[(4-propoxyphenyl)carbonylcarbamothioyl]piperazin-2-yl]ethanoate Openeye Name: 3-phenylpropyl 2-[3-oxo-1-[(4-propoxybenzoyl)carbamothioyl]piperazin-2-yl]acetate CAS Name: 2-[3-oxo-1-[[[oxo-(4-propoxyphenyl)methyl]amino]-sulfanylidenemethyl]-2-piperazinyl]acetic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 2-[3-oxo-1-[(4-propoxybenzoyl)carbamothioyl]piperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-[(4-propoxybenzoyl)thiocarbamoyl]piperazin-2-yl]acetic acid 3-phenylpropyl ester Formula: C26H31N3O5S MolecularWeight: 497.60644

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)NC(=S)N2CCNC(=O)C2CC(=O)OCCCC3=CC=CC=C3

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)NC(=S)N2CCNC(=O)C2CC(=O)OCCCC3=CC=CC=C3

InChI

InChI=1S/C26H31N3O5S/c1-2-16-33-21-12-10-20(11-13-21)24(31)28-26(35)29-15-14-27-25(32)22(29)18-23(30)34-17-6-9-19-7-4-3-5-8-19/h3-5,7-8,10-13,22H,2,6,9,14-18H2,1H3,(H,27,32)(H,28,31,35)