dodecyl 2-[1-[(3-bromanyl-4-butoxy-phenyl)carbonylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: dodecyl 2-[1-[(3-bromanyl-4-butoxy-phenyl)carbonylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: dodecyl 2-[1-[(3-bromo-4-butoxy-benzoyl)carbamothioyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[[[(3-bromo-4-butoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid dodecyl ester IUPAC Name: dodecyl 2-[1-[(3-bromo-4-butoxybenzoyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-[(3-bromo-4-butoxy-benzoyl)thiocarbamoyl]-3-keto-piperazin-2-yl]acetic acid lauryl ester Formula: C30H46BrN3O5S MolecularWeight: 640.67234

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C2=CC(=C(C=C2)OCCCC)Br

Isomeric SMILES

CCCCCCCCCCCCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C2=CC(=C(C=C2)OCCCC)Br

InChI

InChI=1S/C30H46BrN3O5S/c1-3-5-7-8-9-10-11-12-13-14-20-39-27(35)22-25-29(37)32-17-18-34(25)30(40)33-28(36)23-15-16-26(24(31)21-23)38-19-6-4-2/h15-16,21,25H,3-14,17-20,22H2,1-2H3,(H,32,37)(H,33,36,40)