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

Systemtic Name: N-[[4-(azepan-1-ylcarbonyl)phenyl]carbamothioyl]-4-(3-methylbutoxy)benzamide Openeye Name: N-[[4-(azepane-1-carbonyl)phenyl]carbamothioyl]-4-isopentyloxy-benzamide CAS Name: N-[[4-[1-azepanyl(oxo)methyl]anilino]-sulfanylidenemethyl]-4-(3-methylbutoxy)benzamide IUPAC Name: N-[[4-(azepane-1-carbonyl)phenyl]carbamothioyl]-4-(3-methylbutoxy)benzamide Traditional Name: N-[[4-(azepane-1-carbonyl)phenyl]thiocarbamoyl]-4-isoamoxy-benzamide Formula: C26H33N3O3S MolecularWeight: 467.62352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H33N3O3S/c1-19(2)15-18-32-23-13-9-20(10-14-23)24(30)28-26(33)27-22-11-7-21(8-12-22)25(31)29-16-5-3-4-6-17-29/h7-14,19H,3-6,15-18H2,1-2H3,(H2,27,28,30,33)