3-[(3-methyl-4-propan-2-yl-phenoxy)methyl]benzenecarbothioamide

Systemtic Name: 3-[(3-methyl-4-propan-2-yl-phenoxy)methyl]benzenecarbothioamide Openeye Name: 3-[(4-isopropyl-3-methyl-phenoxy)methyl]benzenecarbothioamide CAS Name: 3-[(3-methyl-4-propan-2-ylphenoxy)methyl]benzenecarbothioamide IUPAC Name: 3-[(3-methyl-4-propan-2-ylphenoxy)methyl]benzenecarbothioamide Traditional Name: 3-[(4-isopropyl-3-methyl-phenoxy)methyl]thiobenzamide Formula: C18H21NOS MolecularWeight: 299.43044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC2=CC=CC(=C2)C(=S)N)C(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)OCC2=CC=CC(=C2)C(=S)N)C(C)C

InChI

InChI=1S/C18H21NOS/c1-12(2)17-8-7-16(9-13(17)3)20-11-14-5-4-6-15(10-14)18(19)21/h4-10,12H,11H2,1-3H3,(H2,19,21)