2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanyl-N-naphthalen-1-yl-butanamide

Systemtic Name: 2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanyl-N-naphthalen-1-yl-butanamide Openeye Name: 2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanyl-N-(1-naphthyl)butanamide CAS Name: 2-[[3-[[(2-methoxyanilino)-sulfanylidenemethyl]amino]phenyl]thio]-N-(1-naphthalenyl)butanamide IUPAC Name: 2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanyl-N-naphthalen-1-ylbutanamide Traditional Name: 2-[[3-[(2-methoxyphenyl)thiocarbamoylamino]phenyl]thio]-N-(1-naphthyl)butyramide Formula: C28H27N3O2S2 MolecularWeight: 501.66288

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC2=CC=CC=C21)SC3=CC=CC(=C3)NC(=S)NC4=CC=CC=C4OC

Isomeric SMILES

CCC(C(=O)NC1=CC=CC2=CC=CC=C21)SC3=CC=CC(=C3)NC(=S)NC4=CC=CC=C4OC

InChI

InChI=1S/C28H27N3O2S2/c1-3-26(27(32)30-23-16-8-11-19-10-4-5-14-22(19)23)35-21-13-9-12-20(18-21)29-28(34)31-24-15-6-7-17-25(24)33-2/h4-18,26H,3H2,1-2H3,(H,30,32)(H2,29,31,34)