N-(4-butoxyphenyl)-2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanyl-propanamide

Systemtic Name: N-(4-butoxyphenyl)-2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanyl-propanamide Openeye Name: N-(4-butoxyphenyl)-2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanyl-propanamide CAS Name: N-(4-butoxyphenyl)-2-[[3-[[(2-methoxyanilino)-sulfanylidenemethyl]amino]phenyl]thio]propanamide IUPAC Name: N-(4-butoxyphenyl)-2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanylpropanamide Traditional Name: N-(4-butoxyphenyl)-2-[[3-[(2-methoxyphenyl)thiocarbamoylamino]phenyl]thio]propionamide Formula: C27H31N3O3S2 MolecularWeight: 509.68334

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC(=O)C(C)SC2=CC=CC(=C2)NC(=S)NC3=CC=CC=C3OC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC(=O)C(C)SC2=CC=CC(=C2)NC(=S)NC3=CC=CC=C3OC

InChI

InChI=1S/C27H31N3O3S2/c1-4-5-17-33-22-15-13-20(14-16-22)28-26(31)19(2)35-23-10-8-9-21(18-23)29-27(34)30-24-11-6-7-12-25(24)32-3/h6-16,18-19H,4-5,17H2,1-3H3,(H,28,31)(H2,29,30,34)