2-[4-(2-methylpropoxymethyl)phenyl]benzenecarbothioamide

Systemtic Name: 2-[4-(2-methylpropoxymethyl)phenyl]benzenecarbothioamide Openeye Name: 2-[4-(isobutoxymethyl)phenyl]benzenecarbothioamide CAS Name: 2-[4-(2-methylpropoxymethyl)phenyl]benzenecarbothioamide IUPAC Name: 2-[4-(2-methylpropoxymethyl)phenyl]benzenecarbothioamide Traditional Name: 2-[4-(isobutoxymethyl)phenyl]thiobenzamide Formula: C18H21NOS MolecularWeight: 299.43044

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COCC1=CC=C(C=C1)C2=CC=CC=C2C(=S)N

Isomeric SMILES

CC(C)COCC1=CC=C(C=C1)C2=CC=CC=C2C(=S)N

InChI

InChI=1S/C18H21NOS/c1-13(2)11-20-12-14-7-9-15(10-8-14)16-5-3-4-6-17(16)18(19)21/h3-10,13H,11-12H2,1-2H3,(H2,19,21)