dodecyl 2-[1-[(4-butan-2-yloxyphenyl)carbonylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: dodecyl 2-[1-[(4-butan-2-yloxyphenyl)carbonylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: dodecyl 2-[3-oxo-1-[(4-sec-butoxybenzoyl)carbamothioyl]piperazin-2-yl]acetate CAS Name: 2-[1-[[[(4-butan-2-yloxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid dodecyl ester IUPAC Name: dodecyl 2-[1-[(4-butan-2-yloxybenzoyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-[(4-sec-butoxybenzoyl)thiocarbamoyl]piperazin-2-yl]acetic acid lauryl ester Formula: C30H47N3O5S MolecularWeight: 561.77628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H47N3O5S/c1-4-6-7-8-9-10-11-12-13-14-21-37-27(34)22-26-29(36)31-19-20-33(26)30(39)32-28(35)24-15-17-25(18-16-24)38-23(3)5-2/h15-18,23,26H,4-14,19-22H2,1-3H3,(H,31,36)(H,32,35,39)