N-[[2-(4-methoxyphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-3-methyl-benzamide

Systemtic Name: N-[[2-(4-methoxyphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-3-methyl-benzamide Openeye Name: N-[[2-(4-methoxyphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-3-methyl-benzamide CAS Name: N-[[[2-(4-methoxyphenyl)-6-methyl-5-benzotriazolyl]amino]-sulfanylidenemethyl]-3-methylbenzamide IUPAC Name: N-[[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-3-methylbenzamide Traditional Name: N-[[2-(4-methoxyphenyl)-6-methyl-benzotriazol-5-yl]thiocarbamoyl]-3-methyl-benzamide Formula: C23H21N5O2S MolecularWeight: 431.51014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2C)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2C)C4=CC=C(C=C4)OC

InChI

InChI=1S/C23H21N5O2S/c1-14-5-4-6-16(11-14)22(29)25-23(31)24-19-13-21-20(12-15(19)2)26-28(27-21)17-7-9-18(30-3)10-8-17/h4-13H,1-3H3,(H2,24,25,29,31)