2-[(4-butoxyphenyl)carbonylcarbamothioylamino]-N-(4-phenylazanylphenyl)benzamide

Systemtic Name: 2-[(4-butoxyphenyl)carbonylcarbamothioylamino]-N-(4-phenylazanylphenyl)benzamide Openeye Name: N-(4-anilinophenyl)-2-[(4-butoxybenzoyl)carbamothioylamino]benzamide CAS Name: N-(4-anilinophenyl)-2-[[[[(4-butoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-(4-anilinophenyl)-2-[(4-butoxybenzoyl)carbamothioylamino]benzamide Traditional Name: N-(4-anilinophenyl)-2-[(4-butoxybenzoyl)thiocarbamoylamino]benzamide Formula: C31H30N4O3S MolecularWeight: 538.6599

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NC3=CC=C(C=C3)NC4=CC=CC=C4

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NC3=CC=C(C=C3)NC4=CC=CC=C4

InChI

InChI=1S/C31H30N4O3S/c1-2-3-21-38-26-19-13-22(14-20-26)29(36)35-31(39)34-28-12-8-7-11-27(28)30(37)33-25-17-15-24(16-18-25)32-23-9-5-4-6-10-23/h4-20,32H,2-3,21H2,1H3,(H,33,37)(H2,34,35,36,39)