3-butoxy-N-[[4-[(3-butoxyphenyl)carbonylcarbamothioylamino]phenyl]carbamothioyl]benzamide

Systemtic Name: 3-butoxy-N-[[4-[(3-butoxyphenyl)carbonylcarbamothioylamino]phenyl]carbamothioyl]benzamide Openeye Name: 3-butoxy-N-[[4-[(3-butoxybenzoyl)carbamothioylamino]phenyl]carbamothioyl]benzamide CAS Name: 3-butoxy-N-[[4-[[[[(3-butoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-butoxy-N-[[4-[(3-butoxybenzoyl)carbamothioylamino]phenyl]carbamothioyl]benzamide Traditional Name: 3-butoxy-N-[[4-[(3-butoxybenzoyl)thiocarbamoylamino]phenyl]thiocarbamoyl]benzamide Formula: C30H34N4O4S2 MolecularWeight: 578.74536

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=CC=C3)OCCCC

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=CC=C3)OCCCC

InChI

InChI=1S/C30H34N4O4S2/c1-3-5-17-37-25-11-7-9-21(19-25)27(35)33-29(39)31-23-13-15-24(16-14-23)32-30(40)34-28(36)22-10-8-12-26(20-22)38-18-6-4-2/h7-16,19-20H,3-6,17-18H2,1-2H3,(H2,31,33,35,39)(H2,32,34,36,40)