1-[3-(1,3-benzothiazol-2-yl)propanoylamino]-3-(4-butylphenyl)thiourea

Systemtic Name: 1-[3-(1,3-benzothiazol-2-yl)propanoylamino]-3-(4-butylphenyl)thiourea Openeye Name: 1-[3-(1,3-benzothiazol-2-yl)propanoylamino]-3-(4-butylphenyl)thiourea CAS Name: 1-[[3-(1,3-benzothiazol-2-yl)-1-oxopropyl]amino]-3-(4-butylphenyl)thiourea IUPAC Name: 1-[3-(1,3-benzothiazol-2-yl)propanoylamino]-3-(4-butylphenyl)thiourea Traditional Name: 1-[3-(1,3-benzothiazol-2-yl)propanoylamino]-3-(4-butylphenyl)thiourea Formula: C21H24N4OS2 MolecularWeight: 412.57146

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NNC(=O)CCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NNC(=O)CCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H24N4OS2/c1-2-3-6-15-9-11-16(12-10-15)22-21(27)25-24-19(26)13-14-20-23-17-7-4-5-8-18(17)28-20/h4-5,7-12H,2-3,6,13-14H2,1H3,(H,24,26)(H2,22,25,27)