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

Systemtic Name: 3-bromanyl-4-(3-methylbutoxy)-N-(4-phenylpiperazin-1-yl)carbothioyl-benzamide Openeye Name: 3-bromo-4-isopentyloxy-N-(4-phenylpiperazine-1-carbothioyl)benzamide CAS Name: 3-bromo-4-(3-methylbutoxy)-N-[(4-phenyl-1-piperazinyl)-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-(3-methylbutoxy)-N-(4-phenylpiperazine-1-carbothioyl)benzamide Traditional Name: 3-bromo-4-isoamoxy-N-(4-phenylpiperazine-1-carbothioyl)benzamide Formula: C23H28BrN3O2S MolecularWeight: 490.45632

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)C(=O)NC(=S)N2CCN(CC2)C3=CC=CC=C3)Br

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)C(=O)NC(=S)N2CCN(CC2)C3=CC=CC=C3)Br

InChI

InChI=1S/C23H28BrN3O2S/c1-17(2)10-15-29-21-9-8-18(16-20(21)24)22(28)25-23(30)27-13-11-26(12-14-27)19-6-4-3-5-7-19/h3-9,16-17H,10-15H2,1-2H3,(H,25,28,30)