N-[2,5-diethoxy-4-[(3-methylphenyl)carbamothioylamino]phenyl]butanamide

Systemtic Name: N-[2,5-diethoxy-4-[(3-methylphenyl)carbamothioylamino]phenyl]butanamide Openeye Name: N-[2,5-diethoxy-4-(m-tolylcarbamothioylamino)phenyl]butanamide CAS Name: N-[2,5-diethoxy-4-[[(3-methylanilino)-sulfanylidenemethyl]amino]phenyl]butanamide IUPAC Name: N-[2,5-diethoxy-4-[(3-methylphenyl)carbamothioylamino]phenyl]butanamide Traditional Name: N-[2,5-diethoxy-4-(m-tolylthiocarbamoylamino)phenyl]butyramide Formula: C22H29N3O3S MolecularWeight: 415.54896

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC(=C(C=C1OCC)NC(=S)NC2=CC=CC(=C2)C)OCC

Isomeric SMILES

CCCC(=O)NC1=CC(=C(C=C1OCC)NC(=S)NC2=CC=CC(=C2)C)OCC

InChI

InChI=1S/C22H29N3O3S/c1-5-9-21(26)24-17-13-20(28-7-3)18(14-19(17)27-6-2)25-22(29)23-16-11-8-10-15(4)12-16/h8,10-14H,5-7,9H2,1-4H3,(H,24,26)(H2,23,25,29)