N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]-3-methoxy-benzamide

Systemtic Name: N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]-3-methoxy-benzamide Openeye Name: N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]-3-methoxy-benzamide CAS Name: N-[[[2-(4-ethoxyphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-3-methoxybenzamide IUPAC Name: N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]-3-methoxybenzamide Traditional Name: 3-methoxy-N-[(2-p-phenetylbenzotriazol-5-yl)thiocarbamoyl]benzamide Formula: C23H21N5O3S MolecularWeight: 447.50954

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)C4=CC(=CC=C4)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)C4=CC(=CC=C4)OC

InChI

InChI=1S/C23H21N5O3S/c1-3-31-18-10-8-17(9-11-18)28-26-20-12-7-16(14-21(20)27-28)24-23(32)25-22(29)15-5-4-6-19(13-15)30-2/h4-14H,3H2,1-2H3,(H2,24,25,29,32)