methyl N-[[2-(pentanoylamino)-4-phenylsulfanyl-phenyl]carbamothioyl]carbamate

Systemtic Name: methyl N-[[2-(pentanoylamino)-4-phenylsulfanyl-phenyl]carbamothioyl]carbamate Openeye Name: methyl N-[[2-(pentanoylamino)-4-phenylsulfanyl-phenyl]carbamothioyl]carbamate CAS Name: N-[[2-(1-oxopentylamino)-4-(phenylthio)anilino]-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-[[2-(pentanoylamino)-4-phenylsulfanylphenyl]carbamothioyl]carbamate Traditional Name: N-[[4-(phenylthio)-2-(valerylamino)phenyl]thiocarbamoyl]carbamic acid methyl ester Formula: C20H23N3O3S2 MolecularWeight: 417.54492

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=C(C=CC(=C1)SC2=CC=CC=C2)NC(=S)NC(=O)OC

Isomeric SMILES

CCCCC(=O)NC1=C(C=CC(=C1)SC2=CC=CC=C2)NC(=S)NC(=O)OC

InChI

InChI=1S/C20H23N3O3S2/c1-3-4-10-18(24)21-17-13-15(28-14-8-6-5-7-9-14)11-12-16(17)22-19(27)23-20(25)26-2/h5-9,11-13H,3-4,10H2,1-2H3,(H,21,24)(H2,22,23,25,27)