methyl N-[[2-[2-(dimethylamino)ethanoylamino]-4-thiocyanato-phenyl]carbamothioyl]carbamate

Systemtic Name: methyl N-[[2-[2-(dimethylamino)ethanoylamino]-4-thiocyanato-phenyl]carbamothioyl]carbamate Openeye Name: methyl N-[[2-[[2-(dimethylamino)acetyl]amino]-4-thiocyanato-phenyl]carbamothioyl]carbamate CAS Name: N-[[2-[[2-(dimethylamino)-1-oxoethyl]amino]-4-thiocyanatoanilino]-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-[[2-[[2-(dimethylamino)acetyl]amino]-4-thiocyanatophenyl]carbamothioyl]carbamate Traditional Name: N-[[2-[[2-(dimethylamino)acetyl]amino]-4-thiocyanato-phenyl]thiocarbamoyl]carbamic acid methyl ester Formula: C14H17N5O3S2 MolecularWeight: 367.44648

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC(=O)NC1=C(C=CC(=C1)SC#N)NC(=S)NC(=O)OC

Isomeric SMILES

CN(C)CC(=O)NC1=C(C=CC(=C1)SC#N)NC(=S)NC(=O)OC

InChI

InChI=1S/C14H17N5O3S2/c1-19(2)7-12(20)16-11-6-9(24-8-15)4-5-10(11)17-13(23)18-14(21)22-3/h4-6H,7H2,1-3H3,(H,16,20)(H2,17,18,21,23)