N-[3-[(4-butan-2-yloxyphenyl)carbonylcarbamothioylamino]phenyl]-4-tert-butyl-benzamide

Systemtic Name: N-[3-[(4-butan-2-yloxyphenyl)carbonylcarbamothioylamino]phenyl]-4-tert-butyl-benzamide Openeye Name: 4-tert-butyl-N-[3-[(4-sec-butoxybenzoyl)carbamothioylamino]phenyl]benzamide CAS Name: N-[3-[[[[(4-butan-2-yloxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]phenyl]-4-tert-butylbenzamide IUPAC Name: N-[3-[(4-butan-2-yloxybenzoyl)carbamothioylamino]phenyl]-4-tert-butylbenzamide Traditional Name: 4-tert-butyl-N-[3-[(4-sec-butoxybenzoyl)thiocarbamoylamino]phenyl]benzamide Formula: C29H33N3O3S MolecularWeight: 503.65562

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCC(C)OC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C29H33N3O3S/c1-6-19(2)35-25-16-12-21(13-17-25)27(34)32-28(36)31-24-9-7-8-23(18-24)30-26(33)20-10-14-22(15-11-20)29(3,4)5/h7-19H,6H2,1-5H3,(H,30,33)(H2,31,32,34,36)