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

Systemtic Name: N-(4-butoxyphenyl)-2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanyl-butanamide Openeye Name: N-(4-butoxyphenyl)-2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanyl-butanamide CAS Name: N-(4-butoxyphenyl)-2-[[3-[[(2-methoxyanilino)-sulfanylidenemethyl]amino]phenyl]thio]butanamide IUPAC Name: N-(4-butoxyphenyl)-2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanylbutanamide Traditional Name: N-(4-butoxyphenyl)-2-[[3-[(2-methoxyphenyl)thiocarbamoylamino]phenyl]thio]butyramide Formula: C28H33N3O3S2 MolecularWeight: 523.70992

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC(=O)C(CC)SC2=CC=CC(=C2)NC(=S)NC3=CC=CC=C3OC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC(=O)C(CC)SC2=CC=CC(=C2)NC(=S)NC3=CC=CC=C3OC

InChI

InChI=1S/C28H33N3O3S2/c1-4-6-18-34-22-16-14-20(15-17-22)29-27(32)26(5-2)36-23-11-9-10-21(19-23)30-28(35)31-24-12-7-8-13-25(24)33-3/h7-17,19,26H,4-6,18H2,1-3H3,(H,29,32)(H2,30,31,35)