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

Systemtic Name: N-(4-ethoxyphenyl)-2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanyl-butanamide Openeye Name: N-(4-ethoxyphenyl)-2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanyl-butanamide CAS Name: N-(4-ethoxyphenyl)-2-[[3-[[(2-methoxyanilino)-sulfanylidenemethyl]amino]phenyl]thio]butanamide IUPAC Name: N-(4-ethoxyphenyl)-2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanylbutanamide Traditional Name: 2-[[3-[(2-methoxyphenyl)thiocarbamoylamino]phenyl]thio]-N-p-phenetyl-butyramide Formula: C26H29N3O3S2 MolecularWeight: 495.65676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29N3O3S2/c1-4-24(25(30)27-18-13-15-20(16-14-18)32-5-2)34-21-10-8-9-19(17-21)28-26(33)29-22-11-6-7-12-23(22)31-3/h6-17,24H,4-5H2,1-3H3,(H,27,30)(H2,28,29,33)