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

Systemtic Name: N-[[4-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]naphthalene-1-carboxamide Openeye Name: N-[[4-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]naphthalene-1-carboxamide CAS Name: N-[[4-[4-(1-oxopropyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]-1-naphthalenecarboxamide IUPAC Name: N-[[4-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]naphthalene-1-carboxamide Traditional Name: N-[[4-(4-propionylpiperazino)phenyl]thiocarbamoyl]-1-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=CC=CC4=CC=CC=C43

Isomeric SMILES

CCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CC4=CC=CC=C43

InChI

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