3-bromanyl-4-(3-methylbutoxy)-N-(4-methylpiperazin-1-yl)carbothioyl-benzamide

Systemtic Name: 3-bromanyl-4-(3-methylbutoxy)-N-(4-methylpiperazin-1-yl)carbothioyl-benzamide Openeye Name: 3-bromo-4-isopentyloxy-N-(4-methylpiperazine-1-carbothioyl)benzamide CAS Name: 3-bromo-4-(3-methylbutoxy)-N-[(4-methyl-1-piperazinyl)-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-(3-methylbutoxy)-N-(4-methylpiperazine-1-carbothioyl)benzamide Traditional Name: 3-bromo-4-isoamoxy-N-(4-methylpiperazine-1-carbothioyl)benzamide Formula: C18H26BrN3O2S MolecularWeight: 428.38694

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)C(=O)NC(=S)N2CCN(CC2)C)Br

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)C(=O)NC(=S)N2CCN(CC2)C)Br

InChI

InChI=1S/C18H26BrN3O2S/c1-13(2)6-11-24-16-5-4-14(12-15(16)19)17(23)20-18(25)22-9-7-21(3)8-10-22/h4-5,12-13H,6-11H2,1-3H3,(H,20,23,25)