N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-3-bromanyl-4-methyl-benzamide

Systemtic Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-3-bromanyl-4-methyl-benzamide Openeye Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-3-bromo-4-methyl-benzamide CAS Name: N-[[4-(1-azepanylsulfonyl)anilino]-sulfanylidenemethyl]-3-bromo-4-methylbenzamide IUPAC Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-3-bromo-4-methylbenzamide Traditional Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]thiocarbamoyl]-3-bromo-4-methyl-benzamide Formula: C21H24BrN3O3S2 MolecularWeight: 510.46756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)Br

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)Br

InChI

InChI=1S/C21H24BrN3O3S2/c1-15-6-7-16(14-19(15)22)20(26)24-21(29)23-17-8-10-18(11-9-17)30(27,28)25-12-4-2-3-5-13-25/h6-11,14H,2-5,12-13H2,1H3,(H2,23,24,26,29)