N-[4-(cyclohexylcarbamothioylamino)-2,5-diethoxy-phenyl]-3-methyl-benzamide

Systemtic Name: N-[4-(cyclohexylcarbamothioylamino)-2,5-diethoxy-phenyl]-3-methyl-benzamide Openeye Name: N-[4-(cyclohexylcarbamothioylamino)-2,5-diethoxy-phenyl]-3-methyl-benzamide CAS Name: N-[4-[[(cyclohexylamino)-sulfanylidenemethyl]amino]-2,5-diethoxyphenyl]-3-methylbenzamide IUPAC Name: N-[4-(cyclohexylcarbamothioylamino)-2,5-diethoxyphenyl]-3-methylbenzamide Traditional Name: N-[4-(cyclohexylthiocarbamoylamino)-2,5-diethoxy-phenyl]-3-methyl-benzamide Formula: C25H33N3O3S MolecularWeight: 455.61282

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1NC(=O)C2=CC(=CC=C2)C)OCC)NC(=S)NC3CCCCC3

Isomeric SMILES

CCOC1=CC(=C(C=C1NC(=O)C2=CC(=CC=C2)C)OCC)NC(=S)NC3CCCCC3

InChI

InChI=1S/C25H33N3O3S/c1-4-30-22-16-21(28-25(32)26-19-12-7-6-8-13-19)23(31-5-2)15-20(22)27-24(29)18-11-9-10-17(3)14-18/h9-11,14-16,19H,4-8,12-13H2,1-3H3,(H,27,29)(H2,26,28,32)