1-[2-(1,3-benzothiazol-2-ylamino)ethanoylamino]-3-(4-butylphenyl)thiourea

Systemtic Name: 1-[2-(1,3-benzothiazol-2-ylamino)ethanoylamino]-3-(4-butylphenyl)thiourea Openeye Name: 1-[[2-(1,3-benzothiazol-2-ylamino)acetyl]amino]-3-(4-butylphenyl)thiourea CAS Name: 1-[[2-(1,3-benzothiazol-2-ylamino)-1-oxoethyl]amino]-3-(4-butylphenyl)thiourea IUPAC Name: 1-[[2-(1,3-benzothiazol-2-ylamino)acetyl]amino]-3-(4-butylphenyl)thiourea Traditional Name: 1-[[2-(1,3-benzothiazol-2-ylamino)acetyl]amino]-3-(4-butylphenyl)thiourea Formula: C20H23N5OS2 MolecularWeight: 413.55952

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NNC(=O)CNC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NNC(=O)CNC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C20H23N5OS2/c1-2-3-6-14-9-11-15(12-10-14)22-19(27)25-24-18(26)13-21-20-23-16-7-4-5-8-17(16)28-20/h4-5,7-12H,2-3,6,13H2,1H3,(H,21,23)(H,24,26)(H2,22,25,27)