1-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]butanoylamino]-3-(3-methoxyphenyl)thiourea

Systemtic Name: 1-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]butanoylamino]-3-(3-methoxyphenyl)thiourea Openeye Name: 1-[4-(1,3-dioxoisoindolin-2-yl)butanoylamino]-3-(3-methoxyphenyl)thiourea CAS Name: 1-[[4-(1,3-dioxo-2-isoindolyl)-1-oxobutyl]amino]-3-(3-methoxyphenyl)thiourea IUPAC Name: 1-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]-3-(3-methoxyphenyl)thiourea Traditional Name: 1-(3-methoxyphenyl)-3-(4-phthalimidobutanoylamino)thiourea Formula: C20H20N4O4S MolecularWeight: 412.4622

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=S)NNC(=O)CCCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

COC1=CC=CC(=C1)NC(=S)NNC(=O)CCCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C20H20N4O4S/c1-28-14-7-4-6-13(12-14)21-20(29)23-22-17(25)10-5-11-24-18(26)15-8-2-3-9-16(15)19(24)27/h2-4,6-9,12H,5,10-11H2,1H3,(H,22,25)(H2,21,23,29)