N-[2,5-diethoxy-4-(3-methoxypropylcarbamothioylamino)phenyl]-4-methyl-benzamide

Systemtic Name: N-[2,5-diethoxy-4-(3-methoxypropylcarbamothioylamino)phenyl]-4-methyl-benzamide Openeye Name: N-[2,5-diethoxy-4-(3-methoxypropylcarbamothioylamino)phenyl]-4-methyl-benzamide CAS Name: N-[2,5-diethoxy-4-[[(3-methoxypropylamino)-sulfanylidenemethyl]amino]phenyl]-4-methylbenzamide IUPAC Name: N-[2,5-diethoxy-4-(3-methoxypropylcarbamothioylamino)phenyl]-4-methylbenzamide Traditional Name: N-[2,5-diethoxy-4-(3-methoxypropylthiocarbamoylamino)phenyl]-4-methyl-benzamide Formula: C23H31N3O4S MolecularWeight: 445.57494

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1NC(=O)C2=CC=C(C=C2)C)OCC)NC(=S)NCCCOC

Isomeric SMILES

CCOC1=CC(=C(C=C1NC(=O)C2=CC=C(C=C2)C)OCC)NC(=S)NCCCOC

InChI

InChI=1S/C23H31N3O4S/c1-5-29-20-15-19(26-23(31)24-12-7-13-28-4)21(30-6-2)14-18(20)25-22(27)17-10-8-16(3)9-11-17/h8-11,14-15H,5-7,12-13H2,1-4H3,(H,25,27)(H2,24,26,31)