1-methyl-1-(2-naphthalen-2-ylsulfanylethanoylamino)-3-(phenylmethyl)thiourea

Systemtic Name: 1-methyl-1-(2-naphthalen-2-ylsulfanylethanoylamino)-3-(phenylmethyl)thiourea Openeye Name: 3-benzyl-1-methyl-1-[[2-(2-naphthylsulfanyl)acetyl]amino]thiourea CAS Name: 1-methyl-1-[[2-(2-naphthalenylthio)-1-oxoethyl]amino]-3-(phenylmethyl)thiourea IUPAC Name: 3-benzyl-1-methyl-1-[(2-naphthalen-2-ylsulfanylacetyl)amino]thiourea Traditional Name: 3-benzyl-1-methyl-1-[[2-(2-naphthylthio)acetyl]amino]thiourea Formula: C21H21N3OS2 MolecularWeight: 395.54094

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=S)NCC1=CC=CC=C1)NC(=O)CSC2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CN(C(=S)NCC1=CC=CC=C1)NC(=O)CSC2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C21H21N3OS2/c1-24(21(26)22-14-16-7-3-2-4-8-16)23-20(25)15-27-19-12-11-17-9-5-6-10-18(17)13-19/h2-13H,14-15H2,1H3,(H,22,26)(H,23,25)