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

Systemtic Name: methyl N-[[2-[2-(diethylamino)ethanoylamino]-4-phenylsulfanyl-phenyl]carbamothioyl]carbamate Openeye Name: methyl N-[[2-[[2-(diethylamino)acetyl]amino]-4-phenylsulfanyl-phenyl]carbamothioyl]carbamate CAS Name: N-[[2-[[2-(diethylamino)-1-oxoethyl]amino]-4-(phenylthio)anilino]-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-[[2-[[2-(diethylamino)acetyl]amino]-4-phenylsulfanylphenyl]carbamothioyl]carbamate Traditional Name: N-[[2-[[2-(diethylamino)acetyl]amino]-4-(phenylthio)phenyl]thiocarbamoyl]carbamic acid methyl ester Formula: C21H26N4O3S2 MolecularWeight: 446.58614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O3S2/c1-4-25(5-2)14-19(26)22-18-13-16(30-15-9-7-6-8-10-15)11-12-17(18)23-20(29)24-21(27)28-3/h6-13H,4-5,14H2,1-3H3,(H,22,26)(H2,23,24,27,29)