S-[[2-(4-methoxyphenyl)benzotriazol-5-yl]carbamoylamino] 2-methylbenzenecarbothioate

Systemtic Name: S-[[2-(4-methoxyphenyl)benzotriazol-5-yl]carbamoylamino] 2-methylbenzenecarbothioate Openeye Name: S-[[2-(4-methoxyphenyl)benzotriazol-5-yl]carbamoylamino] 2-methylbenzenecarbothioate CAS Name: 2-methylbenzenecarbothioic acid S-[[[[2-(4-methoxyphenyl)-5-benzotriazolyl]amino]-oxomethyl]amino] ester IUPAC Name: S-[[2-(4-methoxyphenyl)benzotriazol-5-yl]carbamoylamino] 2-methylbenzenecarbothioate Traditional Name: 2-methylthiobenzoic acid S-[[2-(4-methoxyphenyl)benzotriazol-5-yl]carbamoylamino] ester Formula: C22H19N5O3S MolecularWeight: 433.48296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)SNC(=O)NC2=CC3=NN(N=C3C=C2)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC=CC=C1C(=O)SNC(=O)NC2=CC3=NN(N=C3C=C2)C4=CC=C(C=C4)OC

InChI

InChI=1S/C22H19N5O3S/c1-14-5-3-4-6-18(14)21(28)31-26-22(29)23-15-7-12-19-20(13-15)25-27(24-19)16-8-10-17(30-2)11-9-16/h3-13H,1-2H3,(H2,23,26,29)