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

Systemtic Name: S-[[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamoylamino] thiophene-2-carbothioate Openeye Name: S-[[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamoylamino] thiophene-2-carbothioate CAS Name: 2-thiophenecarbothioic acid S-[[[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)anilino]-oxomethyl]amino] ester IUPAC Name: S-[[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamoylamino] thiophene-2-carbothioate Traditional Name: thiophene-2-carbothioic acid S-[[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamoylamino] ester Formula: C21H17N3O3S2 MolecularWeight: 423.50798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=N2)C3=CC(=C(C=C3)C)NC(=O)NSC(=O)C4=CC=CS4

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=N2)C3=CC(=C(C=C3)C)NC(=O)NSC(=O)C4=CC=CS4

InChI

InChI=1S/C21H17N3O3S2/c1-12-5-8-17-16(10-12)22-19(27-17)14-7-6-13(2)15(11-14)23-21(26)24-29-20(25)18-4-3-9-28-18/h3-11H,1-2H3,(H2,23,24,26)