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

Systemtic Name: 3-methoxy-N-[[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]carbamothioyl]naphthalene-2-carboxamide Openeye Name: N-[[4-(4-benzylpiperazin-1-yl)phenyl]carbamothioyl]-3-methoxy-naphthalene-2-carboxamide CAS Name: 3-methoxy-N-[[4-[4-(phenylmethyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]-2-naphthalenecarboxamide IUPAC Name: N-[[4-(4-benzylpiperazin-1-yl)phenyl]carbamothioyl]-3-methoxynaphthalene-2-carboxamide Traditional Name: N-[[4-(4-benzylpiperazino)phenyl]thiocarbamoyl]-3-methoxy-2-naphthamide Formula: C30H30N4O2S MolecularWeight: 510.6498

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=CC=CC=C2C=C1C(=O)NC(=S)NC3=CC=C(C=C3)N4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

COC1=CC2=CC=CC=C2C=C1C(=O)NC(=S)NC3=CC=C(C=C3)N4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C30H30N4O2S/c1-36-28-20-24-10-6-5-9-23(24)19-27(28)29(35)32-30(37)31-25-11-13-26(14-12-25)34-17-15-33(16-18-34)21-22-7-3-2-4-8-22/h2-14,19-20H,15-18,21H2,1H3,(H2,31,32,35,37)