butyl N-[[2-[2-(dimethylamino)ethanoylamino]-4-phenylsulfanyl-phenyl]carbamothioyl]carbamate

Systemtic Name: butyl N-[[2-[2-(dimethylamino)ethanoylamino]-4-phenylsulfanyl-phenyl]carbamothioyl]carbamate Openeye Name: butyl N-[[2-[[2-(dimethylamino)acetyl]amino]-4-phenylsulfanyl-phenyl]carbamothioyl]carbamate CAS Name: N-[[2-[[2-(dimethylamino)-1-oxoethyl]amino]-4-(phenylthio)anilino]-sulfanylidenemethyl]carbamic acid butyl ester IUPAC Name: butyl N-[[2-[[2-(dimethylamino)acetyl]amino]-4-phenylsulfanylphenyl]carbamothioyl]carbamate Traditional Name: N-[[2-[[2-(dimethylamino)acetyl]amino]-4-(phenylthio)phenyl]thiocarbamoyl]carbamic acid butyl ester Formula: C22H28N4O3S2 MolecularWeight: 460.61272

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)NC(=S)NC1=C(C=C(C=C1)SC2=CC=CC=C2)NC(=O)CN(C)C

Isomeric SMILES

CCCCOC(=O)NC(=S)NC1=C(C=C(C=C1)SC2=CC=CC=C2)NC(=O)CN(C)C

InChI

InChI=1S/C22H28N4O3S2/c1-4-5-13-29-22(28)25-21(30)24-18-12-11-17(31-16-9-7-6-8-10-16)14-19(18)23-20(27)15-26(2)3/h6-12,14H,4-5,13,15H2,1-3H3,(H,23,27)(H2,24,25,28,30)