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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=CC=C2C(=O)NC3=CC=C(C=C3)NC4=CC=CC=C4

Isomeric SMILES

CCCCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=CC=C2C(=O)NC3=CC=C(C=C3)NC4=CC=CC=C4

InChI

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