S-[[3-(1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamoylamino] 3,4-dimethylbenzenecarbothioate

Systemtic Name: S-[[3-(1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamoylamino] 3,4-dimethylbenzenecarbothioate Openeye Name: S-[[3-(1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamoylamino] 3,4-dimethylbenzenecarbothioate CAS Name: 3,4-dimethylbenzenecarbothioic acid S-[[[3-(1,3-benzoxazol-2-yl)-2-methylanilino]-oxomethyl]amino] ester IUPAC Name: S-[[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]carbamoylamino] 3,4-dimethylbenzenecarbothioate Traditional Name: 3,4-dimethylthiobenzoic acid S-[[3-(1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamoylamino] ester Formula: C24H21N3O3S MolecularWeight: 431.50684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)SNC(=O)NC2=CC=CC(=C2C)C3=NC4=CC=CC=C4O3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)SNC(=O)NC2=CC=CC(=C2C)C3=NC4=CC=CC=C4O3)C

InChI

InChI=1S/C24H21N3O3S/c1-14-11-12-17(13-15(14)2)23(28)31-27-24(29)26-19-9-6-7-18(16(19)3)22-25-20-8-4-5-10-21(20)30-22/h4-13H,1-3H3,(H2,26,27,29)