N-[(4-butoxy-3-methoxy-phenyl)methylcarbamothioyl]-4-heptoxy-benzamide

Systemtic Name: N-[(4-butoxy-3-methoxy-phenyl)methylcarbamothioyl]-4-heptoxy-benzamide Openeye Name: N-[(4-butoxy-3-methoxy-phenyl)methylcarbamothioyl]-4-heptoxy-benzamide CAS Name: N-[[(4-butoxy-3-methoxyphenyl)methylamino]-sulfanylidenemethyl]-4-heptoxybenzamide IUPAC Name: N-[(4-butoxy-3-methoxyphenyl)methylcarbamothioyl]-4-heptoxybenzamide Traditional Name: N-[(4-butoxy-3-methoxy-benzyl)thiocarbamoyl]-4-heptoxy-benzamide Formula: C27H38N2O4S MolecularWeight: 486.66662

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NCC2=CC(=C(C=C2)OCCCC)OC

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NCC2=CC(=C(C=C2)OCCCC)OC

InChI

InChI=1S/C27H38N2O4S/c1-4-6-8-9-10-18-32-23-14-12-22(13-15-23)26(30)29-27(34)28-20-21-11-16-24(25(19-21)31-3)33-17-7-5-2/h11-16,19H,4-10,17-18,20H2,1-3H3,(H2,28,29,30,34)