N-(azepan-1-ylcarbothioyl)-3-[1,3-bis(oxidanylidene)isoindol-2-yl]propanamide

Systemtic Name: N-(azepan-1-ylcarbothioyl)-3-[1,3-bis(oxidanylidene)isoindol-2-yl]propanamide Openeye Name: N-(azepane-1-carbothioyl)-3-(1,3-dioxoisoindolin-2-yl)propanamide CAS Name: N-[1-azepanyl(sulfanylidene)methyl]-3-(1,3-dioxo-2-isoindolyl)propanamide IUPAC Name: N-(azepane-1-carbothioyl)-3-(1,3-dioxoisoindol-2-yl)propanamide Traditional Name: N-(azepane-1-carbothioyl)-3-phthalimido-propionamide Formula: C18H21N3O3S MolecularWeight: 359.44264

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=S)NC(=O)CCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

C1CCCN(CC1)C(=S)NC(=O)CCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C18H21N3O3S/c22-15(19-18(25)20-10-5-1-2-6-11-20)9-12-21-16(23)13-7-3-4-8-14(13)17(21)24/h3-4,7-8H,1-2,5-6,9-12H2,(H,19,22,25)