3-methylbutyl 2-[1-[(4-heptoxyphenyl)carbonylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: 3-methylbutyl 2-[1-[(4-heptoxyphenyl)carbonylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: isopentyl 2-[1-[(4-heptoxybenzoyl)carbamothioyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[[[(4-heptoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 2-[1-[(4-heptoxybenzoyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-[(4-heptoxybenzoyl)thiocarbamoyl]-3-keto-piperazin-2-yl]acetic acid isoamyl ester Formula: C26H39N3O5S MolecularWeight: 505.66996

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)N2CCNC(=O)C2CC(=O)OCCC(C)C

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)N2CCNC(=O)C2CC(=O)OCCC(C)C

InChI

InChI=1S/C26H39N3O5S/c1-4-5-6-7-8-16-33-21-11-9-20(10-12-21)24(31)28-26(35)29-15-14-27-25(32)22(29)18-23(30)34-17-13-19(2)3/h9-12,19,22H,4-8,13-18H2,1-3H3,(H,27,32)(H,28,31,35)