methyl N-[[2-(methoxycarbonylcarbamothioylamino)-4-naphthalen-2-ylsulfanyl-phenyl]carbamothioyl]carbamate

Systemtic Name: methyl N-[[2-(methoxycarbonylcarbamothioylamino)-4-naphthalen-2-ylsulfanyl-phenyl]carbamothioyl]carbamate Openeye Name: methyl N-[[2-(methoxycarbonylcarbamothioylamino)-4-(2-naphthylsulfanyl)phenyl]carbamothioyl]carbamate CAS Name: N-[[2-[[(methoxycarbonylamino)-sulfanylidenemethyl]amino]-4-(2-naphthalenylthio)anilino]-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-[[2-(methoxycarbonylcarbamothioylamino)-4-naphthalen-2-ylsulfanylphenyl]carbamothioyl]carbamate Traditional Name: N-[[2-(carbomethoxythiocarbamoylamino)-4-(2-naphthylthio)phenyl]thiocarbamoyl]carbamic acid methyl ester Formula: C22H20N4O4S3 MolecularWeight: 500.6136

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC(=S)NC1=C(C=C(C=C1)SC2=CC3=CC=CC=C3C=C2)NC(=S)NC(=O)OC

Isomeric SMILES

COC(=O)NC(=S)NC1=C(C=C(C=C1)SC2=CC3=CC=CC=C3C=C2)NC(=S)NC(=O)OC

InChI

InChI=1S/C22H20N4O4S3/c1-29-21(27)25-19(31)23-17-10-9-16(12-18(17)24-20(32)26-22(28)30-2)33-15-8-7-13-5-3-4-6-14(13)11-15/h3-12H,1-2H3,(H2,23,25,27,31)(H2,24,26,28,32)