3-[(4-butoxyphenyl)carbonylcarbamothioylamino]-N-tert-butyl-benzamide

Systemtic Name: 3-[(4-butoxyphenyl)carbonylcarbamothioylamino]-N-tert-butyl-benzamide Openeye Name: 3-[(4-butoxybenzoyl)carbamothioylamino]-N-tert-butyl-benzamide CAS Name: 3-[[[[(4-butoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-N-tert-butylbenzamide IUPAC Name: 3-[(4-butoxybenzoyl)carbamothioylamino]-N-tert-butylbenzamide Traditional Name: 3-[(4-butoxybenzoyl)thiocarbamoylamino]-N-tert-butyl-benzamide Formula: C23H29N3O3S MolecularWeight: 427.55966

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NC(C)(C)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NC(C)(C)C

InChI

InChI=1S/C23H29N3O3S/c1-5-6-14-29-19-12-10-16(11-13-19)20(27)25-22(30)24-18-9-7-8-17(15-18)21(28)26-23(2,3)4/h7-13,15H,5-6,14H2,1-4H3,(H,26,28)(H2,24,25,27,30)