N-(4-acetamidophenyl)-2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanyl-butanamide

Systemtic Name: N-(4-acetamidophenyl)-2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanyl-butanamide Openeye Name: N-(4-acetamidophenyl)-2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanyl-butanamide CAS Name: N-(4-acetamidophenyl)-2-[[3-[[(2-methoxyanilino)-sulfanylidenemethyl]amino]phenyl]thio]butanamide IUPAC Name: N-(4-acetamidophenyl)-2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanylbutanamide Traditional Name: N-(4-acetamidophenyl)-2-[[3-[(2-methoxyphenyl)thiocarbamoylamino]phenyl]thio]butyramide Formula: C26H28N4O3S2 MolecularWeight: 508.65552

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)NC(=O)C)SC2=CC=CC(=C2)NC(=S)NC3=CC=CC=C3OC

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)NC(=O)C)SC2=CC=CC(=C2)NC(=S)NC3=CC=CC=C3OC

InChI

InChI=1S/C26H28N4O3S2/c1-4-24(25(32)28-19-14-12-18(13-15-19)27-17(2)31)35-21-9-7-8-20(16-21)29-26(34)30-22-10-5-6-11-23(22)33-3/h5-16,24H,4H2,1-3H3,(H,27,31)(H,28,32)(H2,29,30,34)