N-[(2-butyl-1,2,3,4-tetrazol-5-yl)carbamothioyl]-3-methoxy-naphthalene-2-carboxamide

Systemtic Name: N-[(2-butyl-1,2,3,4-tetrazol-5-yl)carbamothioyl]-3-methoxy-naphthalene-2-carboxamide Openeye Name: N-[(2-butyltetrazol-5-yl)carbamothioyl]-3-methoxy-naphthalene-2-carboxamide CAS Name: N-[[(2-butyl-5-tetrazolyl)amino]-sulfanylidenemethyl]-3-methoxy-2-naphthalenecarboxamide IUPAC Name: N-[(2-butyltetrazol-5-yl)carbamothioyl]-3-methoxynaphthalene-2-carboxamide Traditional Name: N-[(2-butyltetrazol-5-yl)thiocarbamoyl]-3-methoxy-2-naphthamide Formula: C18H20N6O2S MolecularWeight: 384.4554

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1N=C(N=N1)NC(=S)NC(=O)C2=CC3=CC=CC=C3C=C2OC

Isomeric SMILES

CCCCN1N=C(N=N1)NC(=S)NC(=O)C2=CC3=CC=CC=C3C=C2OC

InChI

InChI=1S/C18H20N6O2S/c1-3-4-9-24-22-17(21-23-24)20-18(27)19-16(25)14-10-12-7-5-6-8-13(12)11-15(14)26-2/h5-8,10-11H,3-4,9H2,1-2H3,(H2,19,20,22,25,27)