N-[(2-bromanyl-4-methyl-phenyl)carbamothioyl]-4-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[(2-bromanyl-4-methyl-phenyl)carbamothioyl]-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[(2-bromo-4-methyl-phenyl)carbamothioyl]-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[(2-bromo-4-methylanilino)-sulfanylidenemethyl]-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[(2-bromo-4-methylphenyl)carbamothioyl]-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[(2-bromo-4-methyl-phenyl)thiocarbamoyl]-4-pyrrolidinosulfonyl-benzamide Formula: C19H20BrN3O3S2 MolecularWeight: 482.4144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=S)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=S)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)Br

InChI

InChI=1S/C19H20BrN3O3S2/c1-13-4-9-17(16(20)12-13)21-19(27)22-18(24)14-5-7-15(8-6-14)28(25,26)23-10-2-3-11-23/h4-9,12H,2-3,10-11H2,1H3,(H2,21,22,24,27)