S-[[2-(4-methoxyphenyl)-6-methyl-benzotriazol-5-yl]carbamoylamino] 2-methylbenzenecarbothioate

Systemtic Name: S-[[2-(4-methoxyphenyl)-6-methyl-benzotriazol-5-yl]carbamoylamino] 2-methylbenzenecarbothioate Openeye Name: S-[[2-(4-methoxyphenyl)-6-methyl-benzotriazol-5-yl]carbamoylamino] 2-methylbenzenecarbothioate CAS Name: 2-methylbenzenecarbothioic acid S-[[[[2-(4-methoxyphenyl)-6-methyl-5-benzotriazolyl]amino]-oxomethyl]amino] ester IUPAC Name: S-[[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]carbamoylamino] 2-methylbenzenecarbothioate Traditional Name: 2-methylthiobenzoic acid S-[[2-(4-methoxyphenyl)-6-methyl-benzotriazol-5-yl]carbamoylamino] ester Formula: C23H21N5O3S MolecularWeight: 447.50954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)SNC(=O)NC2=CC3=NN(N=C3C=C2C)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC=CC=C1C(=O)SNC(=O)NC2=CC3=NN(N=C3C=C2C)C4=CC=C(C=C4)OC

InChI

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