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

Systemtic Name: N-[[4-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]naphthalene-2-carboxamide Openeye Name: N-[[4-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]naphthalene-2-carboxamide CAS Name: N-[[4-[4-(1-oxopropyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]-2-naphthalenecarboxamide IUPAC Name: N-[[4-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]naphthalene-2-carboxamide Traditional Name: N-[[4-(4-propionylpiperazino)phenyl]thiocarbamoyl]-2-naphthamide Formula: C25H26N4O2S MolecularWeight: 446.56454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26N4O2S/c1-2-23(30)29-15-13-28(14-16-29)22-11-9-21(10-12-22)26-25(32)27-24(31)20-8-7-18-5-3-4-6-19(18)17-20/h3-12,17H,2,13-16H2,1H3,(H2,26,27,31,32)