ethyl N-[[4-phenyl-3-(phenylsulfonyl)-1H-pyrrol-2-yl]carbamothioyl]carbamate

Systemtic Name: ethyl N-[[4-phenyl-3-(phenylsulfonyl)-1H-pyrrol-2-yl]carbamothioyl]carbamate Openeye Name: ethyl N-[[3-(benzenesulfonyl)-4-phenyl-1H-pyrrol-2-yl]carbamothioyl]carbamate CAS Name: N-[[[3-(benzenesulfonyl)-4-phenyl-1H-pyrrol-2-yl]amino]-sulfanylidenemethyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[[3-(benzenesulfonyl)-4-phenyl-1H-pyrrol-2-yl]carbamothioyl]carbamate Traditional Name: N-[(3-besyl-4-phenyl-1H-pyrrol-2-yl)thiocarbamoyl]carbamic acid ethyl ester Formula: C20H19N3O4S2 MolecularWeight: 429.51256

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC(=S)NC1=C(C(=CN1)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)NC(=S)NC1=C(C(=CN1)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H19N3O4S2/c1-2-27-20(24)23-19(28)22-18-17(29(25,26)15-11-7-4-8-12-15)16(13-21-18)14-9-5-3-6-10-14/h3-13,21H,2H2,1H3,(H2,22,23,24,28)