methyl 2-[[4-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]carbamoylamino]-3-methyl-butanoate

Systemtic Name: methyl 2-[[4-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]carbamoylamino]-3-methyl-butanoate Openeye Name: methyl 2-[[4-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]carbamoylamino]-3-methyl-butanoate CAS Name: 2-[[[4-(1,3-benzothiazol-2-yl)-2-methylanilino]-oxomethyl]amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl 2-[[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]carbamoylamino]-3-methylbutanoate Traditional Name: 2-[[4-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]carbamoylamino]-3-methyl-butyric acid methyl ester Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=NC3=CC=CC=C3S2)NC(=O)NC(C(C)C)C(=O)OC

Isomeric SMILES

CC1=C(C=CC(=C1)C2=NC3=CC=CC=C3S2)NC(=O)NC(C(C)C)C(=O)OC

InChI

InChI=1S/C21H23N3O3S/c1-12(2)18(20(25)27-4)24-21(26)23-15-10-9-14(11-13(15)3)19-22-16-7-5-6-8-17(16)28-19/h5-12,18H,1-4H3,(H2,23,24,26)