1-ethyl-3-[6-[3-[(3-methylphenyl)carbamoylamino]propanoyl]-1,3-benzothiazol-2-yl]urea

Systemtic Name: 1-ethyl-3-[6-[3-[(3-methylphenyl)carbamoylamino]propanoyl]-1,3-benzothiazol-2-yl]urea Openeye Name: 1-ethyl-3-[6-[3-(m-tolylcarbamoylamino)propanoyl]-1,3-benzothiazol-2-yl]urea CAS Name: 1-ethyl-3-[6-[3-[[(3-methylanilino)-oxomethyl]amino]-1-oxopropyl]-1,3-benzothiazol-2-yl]urea IUPAC Name: 1-ethyl-3-[6-[3-[(3-methylphenyl)carbamoylamino]propanoyl]-1,3-benzothiazol-2-yl]urea Traditional Name: 1-ethyl-3-[6-[3-(m-tolylcarbamoylamino)propanoyl]-1,3-benzothiazol-2-yl]urea Formula: C21H23N5O3S MolecularWeight: 425.50402

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC1=NC2=C(S1)C=C(C=C2)C(=O)CCNC(=O)NC3=CC=CC(=C3)C

Isomeric SMILES

CCNC(=O)NC1=NC2=C(S1)C=C(C=C2)C(=O)CCNC(=O)NC3=CC=CC(=C3)C

InChI

InChI=1S/C21H23N5O3S/c1-3-22-19(28)26-21-25-16-8-7-14(12-18(16)30-21)17(27)9-10-23-20(29)24-15-6-4-5-13(2)11-15/h4-8,11-12H,3,9-10H2,1-2H3,(H2,23,24,29)(H2,22,25,26,28)