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

Systemtic Name: S-[[5-(1,3-benzoxazol-2-yl)-2-chloranyl-phenyl]carbamoylamino] 2-methylbenzenecarbothioate Openeye Name: S-[[5-(1,3-benzoxazol-2-yl)-2-chloro-phenyl]carbamoylamino] 2-methylbenzenecarbothioate CAS Name: 2-methylbenzenecarbothioic acid S-[[[5-(1,3-benzoxazol-2-yl)-2-chloroanilino]-oxomethyl]amino] ester IUPAC Name: S-[[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]carbamoylamino] 2-methylbenzenecarbothioate Traditional Name: 2-methylthiobenzoic acid S-[[5-(1,3-benzoxazol-2-yl)-2-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=C(C=CC(=C2)C3=NC4=CC=CC=C4O3)Cl

Isomeric SMILES

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

InChI

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