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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC2=CC=CC=C2C=C1)SC3=CC=CC(=C3)NC(=S)NC4=CC=CC=C4OC

Isomeric SMILES

CCC(C(=O)NC1=CC2=CC=CC=C2C=C1)SC3=CC=CC(=C3)NC(=S)NC4=CC=CC=C4OC

InChI

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