4-methoxy-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide

Systemtic Name: 4-methoxy-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide Openeye Name: 4-methoxy-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide CAS Name: 4-methoxy-N-[[(2-phenyl-5-benzotriazolyl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-methoxy-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide Traditional Name: 4-methoxy-N-[(2-phenylbenzotriazol-5-yl)thiocarbamoyl]benzamide Formula: C21H17N5O2S MolecularWeight: 403.45698

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2)C4=CC=CC=C4

InChI

InChI=1S/C21H17N5O2S/c1-28-17-10-7-14(8-11-17)20(27)23-21(29)22-15-9-12-18-19(13-15)25-26(24-18)16-5-3-2-4-6-16/h2-13H,1H3,(H2,22,23,27,29)