N-(3-azanylpropyl)-4-(4-methoxyphenyl)sulfanyl-3-(phenylcarbonylcarbamoylamino)benzamide

Systemtic Name: N-(3-azanylpropyl)-4-(4-methoxyphenyl)sulfanyl-3-(phenylcarbonylcarbamoylamino)benzamide Openeye Name: N-(3-aminopropyl)-3-(benzoylcarbamoylamino)-4-(4-methoxyphenyl)sulfanyl-benzamide CAS Name: N-(3-aminopropyl)-3-[[benzamido(oxo)methyl]amino]-4-[(4-methoxyphenyl)thio]benzamide IUPAC Name: N-(3-aminopropyl)-3-(benzoylcarbamoylamino)-4-(4-methoxyphenyl)sulfanylbenzamide Traditional Name: N-(3-aminopropyl)-3-(benzoylcarbamoylamino)-4-[(4-methoxyphenyl)thio]benzamide Formula: C25H26N4O4S MolecularWeight: 478.56334

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)NCCCN)NC(=O)NC(=O)C3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)NCCCN)NC(=O)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C25H26N4O4S/c1-33-19-9-11-20(12-10-19)34-22-13-8-18(23(30)27-15-5-14-26)16-21(22)28-25(32)29-24(31)17-6-3-2-4-7-17/h2-4,6-13,16H,5,14-15,26H2,1H3,(H,27,30)(H2,28,29,31,32)