4-methyl-2-[(3-phenethyloxyphenyl)carbonylcarbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxamide

Systemtic Name: 4-methyl-2-[(3-phenethyloxyphenyl)carbonylcarbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxamide Openeye Name: 5-benzyl-4-methyl-2-[(3-phenethyloxybenzoyl)carbamothioylamino]thiophene-3-carboxamide CAS Name: 4-methyl-2-[[[[oxo-(3-phenethyloxyphenyl)methyl]amino]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxamide IUPAC Name: 5-benzyl-4-methyl-2-[(3-phenethyloxybenzoyl)carbamothioylamino]thiophene-3-carboxamide Traditional Name: 5-benzyl-4-methyl-2-[(3-phenethyloxybenzoyl)thiocarbamoylamino]thiophene-3-carboxamide Formula: C29H27N3O3S2 MolecularWeight: 529.67298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)N)NC(=S)NC(=O)C2=CC(=CC=C2)OCCC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(SC(=C1C(=O)N)NC(=S)NC(=O)C2=CC(=CC=C2)OCCC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C29H27N3O3S2/c1-19-24(17-21-11-6-3-7-12-21)37-28(25(19)26(30)33)32-29(36)31-27(34)22-13-8-14-23(18-22)35-16-15-20-9-4-2-5-10-20/h2-14,18H,15-17H2,1H3,(H2,30,33)(H2,31,32,34,36)