1-(4-methoxyphenyl)-3-[2-(naphthalen-1-ylmethylsulfanyl)ethanoylamino]thiourea

Systemtic Name: 1-(4-methoxyphenyl)-3-[2-(naphthalen-1-ylmethylsulfanyl)ethanoylamino]thiourea Openeye Name: 1-(4-methoxyphenyl)-3-[[2-(1-naphthylmethylsulfanyl)acetyl]amino]thiourea CAS Name: 1-(4-methoxyphenyl)-3-[[2-(1-naphthalenylmethylthio)-1-oxoethyl]amino]thiourea IUPAC Name: 1-(4-methoxyphenyl)-3-[[2-(naphthalen-1-ylmethylsulfanyl)acetyl]amino]thiourea Traditional Name: 1-(4-methoxyphenyl)-3-[[2-(1-naphthylmethylthio)acetyl]amino]thiourea Formula: C21H21N3O2S2 MolecularWeight: 411.54034

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=S)NNC(=O)CSCC2=CC=CC3=CC=CC=C32

Isomeric SMILES

COC1=CC=C(C=C1)NC(=S)NNC(=O)CSCC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C21H21N3O2S2/c1-26-18-11-9-17(10-12-18)22-21(27)24-23-20(25)14-28-13-16-7-4-6-15-5-2-3-8-19(15)16/h2-12H,13-14H2,1H3,(H,23,25)(H2,22,24,27)