S-[[5-(1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamoylamino] 2-methylbenzenecarbothioate

Systemtic Name: S-[[5-(1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamoylamino] 2-methylbenzenecarbothioate Openeye Name: S-[[5-(1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamoylamino] 2-methylbenzenecarbothioate CAS Name: 2-methylbenzenecarbothioic acid S-[[[5-(1,3-benzoxazol-2-yl)-2-methylanilino]-oxomethyl]amino] ester IUPAC Name: S-[[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]carbamoylamino] 2-methylbenzenecarbothioate Traditional Name: 2-methylthiobenzoic acid S-[[5-(1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamoylamino] ester Formula: C23H19N3O3S MolecularWeight: 417.48026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3O2)NC(=O)NSC(=O)C4=CC=CC=C4C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3O2)NC(=O)NSC(=O)C4=CC=CC=C4C

InChI

InChI=1S/C23H19N3O3S/c1-14-7-3-4-8-17(14)22(27)30-26-23(28)25-19-13-16(12-11-15(19)2)21-24-18-9-5-6-10-20(18)29-21/h3-13H,1-2H3,(H2,25,26,28)