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

Systemtic Name: S-[[3-(5-chloranyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamoylamino] 2-methylbenzenecarbothioate Openeye Name: S-[[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamoylamino] 2-methylbenzenecarbothioate CAS Name: 2-methylbenzenecarbothioic acid S-[[[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylanilino]-oxomethyl]amino] ester IUPAC Name: S-[[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamoylamino] 2-methylbenzenecarbothioate Traditional Name: 2-methylthiobenzoic acid S-[[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamoylamino] ester Formula: C23H18ClN3O3S MolecularWeight: 451.92532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)SNC(=O)NC2=CC=CC(=C2C)C3=NC4=C(O3)C=CC(=C4)Cl

Isomeric SMILES

CC1=CC=CC=C1C(=O)SNC(=O)NC2=CC=CC(=C2C)C3=NC4=C(O3)C=CC(=C4)Cl

InChI

InChI=1S/C23H18ClN3O3S/c1-13-6-3-4-7-16(13)22(28)31-27-23(29)26-18-9-5-8-17(14(18)2)21-25-19-12-15(24)10-11-20(19)30-21/h3-12H,1-2H3,(H2,26,27,29)