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

Systemtic Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-3-bromanyl-4-tert-butyl-benzamide Openeye Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-3-bromo-4-tert-butyl-benzamide CAS Name: N-[[4-(1-azepanylsulfonyl)anilino]-sulfanylidenemethyl]-3-bromo-4-tert-butylbenzamide IUPAC Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-3-bromo-4-tert-butylbenzamide Traditional Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]thiocarbamoyl]-3-bromo-4-tert-butyl-benzamide Formula: C24H30BrN3O3S2 MolecularWeight: 552.5473

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30BrN3O3S2/c1-24(2,3)20-13-8-17(16-21(20)25)22(29)27-23(32)26-18-9-11-19(12-10-18)33(30,31)28-14-6-4-5-7-15-28/h8-13,16H,4-7,14-15H2,1-3H3,(H2,26,27,29,32)