N-[4-(cyclohexylcarbamothioylamino)-2,5-diethoxy-phenyl]thiophene-2-carboxamide

Systemtic Name: N-[4-(cyclohexylcarbamothioylamino)-2,5-diethoxy-phenyl]thiophene-2-carboxamide Openeye Name: N-[4-(cyclohexylcarbamothioylamino)-2,5-diethoxy-phenyl]thiophene-2-carboxamide CAS Name: N-[4-[[(cyclohexylamino)-sulfanylidenemethyl]amino]-2,5-diethoxyphenyl]-2-thiophenecarboxamide IUPAC Name: N-[4-(cyclohexylcarbamothioylamino)-2,5-diethoxyphenyl]thiophene-2-carboxamide Traditional Name: N-[4-(cyclohexylthiocarbamoylamino)-2,5-diethoxy-phenyl]thiophene-2-carboxamide Formula: C22H29N3O3S2 MolecularWeight: 447.61396

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1NC(=O)C2=CC=CS2)OCC)NC(=S)NC3CCCCC3

Isomeric SMILES

CCOC1=CC(=C(C=C1NC(=O)C2=CC=CS2)OCC)NC(=S)NC3CCCCC3

InChI

InChI=1S/C22H29N3O3S2/c1-3-27-18-14-17(25-22(29)23-15-9-6-5-7-10-15)19(28-4-2)13-16(18)24-21(26)20-11-8-12-30-20/h8,11-15H,3-7,9-10H2,1-2H3,(H,24,26)(H2,23,25,29)