3-bromanyl-4-(3-methylbutoxy)-N-(prop-2-enylcarbamothioyl)benzamide

Systemtic Name: 3-bromanyl-4-(3-methylbutoxy)-N-(prop-2-enylcarbamothioyl)benzamide Openeye Name: N-(allylcarbamothioyl)-3-bromo-4-isopentyloxy-benzamide CAS Name: 3-bromo-4-(3-methylbutoxy)-N-[(prop-2-enylamino)-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-(3-methylbutoxy)-N-(prop-2-enylcarbamothioyl)benzamide Traditional Name: N-(allylthiocarbamoyl)-3-bromo-4-isoamoxy-benzamide Formula: C16H21BrN2O2S MolecularWeight: 385.31914

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)C(=O)NC(=S)NCC=C)Br

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)C(=O)NC(=S)NCC=C)Br

InChI

InChI=1S/C16H21BrN2O2S/c1-4-8-18-16(22)19-15(20)12-5-6-14(13(17)10-12)21-9-7-11(2)3/h4-6,10-11H,1,7-9H2,2-3H3,(H2,18,19,20,22)