N-(hexadecylcarbamothioyl)-3-propan-2-yloxy-benzamide

Systemtic Name: N-(hexadecylcarbamothioyl)-3-propan-2-yloxy-benzamide Openeye Name: N-(hexadecylcarbamothioyl)-3-isopropoxy-benzamide CAS Name: N-[(hexadecylamino)-sulfanylidenemethyl]-3-propan-2-yloxybenzamide IUPAC Name: N-(hexadecylcarbamothioyl)-3-propan-2-yloxybenzamide Traditional Name: N-(cetylthiocarbamoyl)-3-isopropoxy-benzamide Formula: C27H46N2O2S MolecularWeight: 462.73134

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC(=S)NC(=O)C1=CC(=CC=C1)OC(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCNC(=S)NC(=O)C1=CC(=CC=C1)OC(C)C

InChI

InChI=1S/C27H46N2O2S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-28-27(32)29-26(30)24-19-18-20-25(22-24)31-23(2)3/h18-20,22-23H,4-17,21H2,1-3H3,(H2,28,29,30,32)