S-[[3-(1,3-benzoxazol-2-yl)-4-chloranyl-phenyl]carbamoylamino] 2-methylbenzenecarbothioate

Systemtic Name: S-[[3-(1,3-benzoxazol-2-yl)-4-chloranyl-phenyl]carbamoylamino] 2-methylbenzenecarbothioate Openeye Name: S-[[3-(1,3-benzoxazol-2-yl)-4-chloro-phenyl]carbamoylamino] 2-methylbenzenecarbothioate CAS Name: 2-methylbenzenecarbothioic acid S-[[[3-(1,3-benzoxazol-2-yl)-4-chloroanilino]-oxomethyl]amino] ester IUPAC Name: S-[[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]carbamoylamino] 2-methylbenzenecarbothioate Traditional Name: 2-methylthiobenzoic acid S-[[3-(1,3-benzoxazol-2-yl)-4-chloro-phenyl]carbamoylamino] ester Formula: C22H16ClN3O3S MolecularWeight: 437.89874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)SNC(=O)NC2=CC(=C(C=C2)Cl)C3=NC4=CC=CC=C4O3

Isomeric SMILES

CC1=CC=CC=C1C(=O)SNC(=O)NC2=CC(=C(C=C2)Cl)C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C22H16ClN3O3S/c1-13-6-2-3-7-15(13)21(27)30-26-22(28)24-14-10-11-17(23)16(12-14)20-25-18-8-4-5-9-19(18)29-20/h2-12H,1H3,(H2,24,26,28)