2-[(4-butylphenyl)carbamothioylamino]-N-(2,4,6-trimethylphenyl)ethanamide

Systemtic Name: 2-[(4-butylphenyl)carbamothioylamino]-N-(2,4,6-trimethylphenyl)ethanamide Openeye Name: 2-[(4-butylphenyl)carbamothioylamino]-N-(2,4,6-trimethylphenyl)acetamide CAS Name: 2-[[(4-butylanilino)-sulfanylidenemethyl]amino]-N-(2,4,6-trimethylphenyl)acetamide IUPAC Name: 2-[(4-butylphenyl)carbamothioylamino]-N-(2,4,6-trimethylphenyl)acetamide Traditional Name: 2-[(4-butylphenyl)thiocarbamoylamino]-N-mesityl-acetamide Formula: C22H29N3OS MolecularWeight: 383.55016

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NCC(=O)NC2=C(C=C(C=C2C)C)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NCC(=O)NC2=C(C=C(C=C2C)C)C

InChI

InChI=1S/C22H29N3OS/c1-5-6-7-18-8-10-19(11-9-18)24-22(27)23-14-20(26)25-21-16(3)12-15(2)13-17(21)4/h8-13H,5-7,14H2,1-4H3,(H,25,26)(H2,23,24,27)