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

Systemtic Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-3-(3-methylbutoxy)benzamide Openeye Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-3-isopentyloxy-benzamide CAS Name: N-[[4-(1-azepanylsulfonyl)anilino]-sulfanylidenemethyl]-3-(3-methylbutoxy)benzamide IUPAC Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-3-(3-methylbutoxy)benzamide Traditional Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]thiocarbamoyl]-3-isoamoxy-benzamide Formula: C25H33N3O4S2 MolecularWeight: 503.67722

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC(C)CCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C25H33N3O4S2/c1-19(2)14-17-32-22-9-7-8-20(18-22)24(29)27-25(33)26-21-10-12-23(13-11-21)34(30,31)28-15-5-3-4-6-16-28/h7-13,18-19H,3-6,14-17H2,1-2H3,(H2,26,27,29,33)