S-[[5-(1,3-benzoxazol-2-yl)-2-chloranyl-phenyl]carbamoylamino] 4-methylbenzenecarbothioate

Systemtic Name: S-[[5-(1,3-benzoxazol-2-yl)-2-chloranyl-phenyl]carbamoylamino] 4-methylbenzenecarbothioate Openeye Name: S-[[5-(1,3-benzoxazol-2-yl)-2-chloro-phenyl]carbamoylamino] 4-methylbenzenecarbothioate CAS Name: 4-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] 4-methylbenzenecarbothioate Traditional Name: 4-methylthiobenzoic acid S-[[5-(1,3-benzoxazol-2-yl)-2-chloro-phenyl]carbamoylamino] ester Formula: C22H16ClN3O3S MolecularWeight: 437.89874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)SNC(=O)NC2=C(C=CC(=C2)C3=NC4=CC=CC=C4O3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)SNC(=O)NC2=C(C=CC(=C2)C3=NC4=CC=CC=C4O3)Cl

InChI

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