2-[(3-butoxyphenyl)carbonylcarbamothioylamino]-N-(4-phenylazanylphenyl)benzamide

Systemtic Name: 2-[(3-butoxyphenyl)carbonylcarbamothioylamino]-N-(4-phenylazanylphenyl)benzamide Openeye Name: N-(4-anilinophenyl)-2-[(3-butoxybenzoyl)carbamothioylamino]benzamide CAS Name: N-(4-anilinophenyl)-2-[[[[(3-butoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-(4-anilinophenyl)-2-[(3-butoxybenzoyl)carbamothioylamino]benzamide Traditional Name: N-(4-anilinophenyl)-2-[(3-butoxybenzoyl)thiocarbamoylamino]benzamide Formula: C31H30N4O3S MolecularWeight: 538.6599

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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