3-methoxy-N-[[2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]naphthalene-2-carboxamide

Systemtic Name: 3-methoxy-N-[[2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]naphthalene-2-carboxamide Openeye Name: 3-methoxy-N-[[2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]naphthalene-2-carboxamide CAS Name: 3-methoxy-N-[[2-[4-(1-oxopropyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]-2-naphthalenecarboxamide IUPAC Name: 3-methoxy-N-[[2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]naphthalene-2-carboxamide Traditional Name: 3-methoxy-N-[[2-(4-propionylpiperazino)phenyl]thiocarbamoyl]-2-naphthamide Formula: C26H28N4O3S MolecularWeight: 476.59052

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(CC1)C2=CC=CC=C2NC(=S)NC(=O)C3=CC4=CC=CC=C4C=C3OC

Isomeric SMILES

CCC(=O)N1CCN(CC1)C2=CC=CC=C2NC(=S)NC(=O)C3=CC4=CC=CC=C4C=C3OC

InChI

InChI=1S/C26H28N4O3S/c1-3-24(31)30-14-12-29(13-15-30)22-11-7-6-10-21(22)27-26(34)28-25(32)20-16-18-8-4-5-9-19(18)17-23(20)33-2/h4-11,16-17H,3,12-15H2,1-2H3,(H2,27,28,32,34)