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

Systemtic Name: 1-[2-(1,3-benzothiazol-2-ylamino)ethanoylamino]-3-(3,4-dimethylphenyl)thiourea Openeye Name: 1-[[2-(1,3-benzothiazol-2-ylamino)acetyl]amino]-3-(3,4-dimethylphenyl)thiourea CAS Name: 1-[[2-(1,3-benzothiazol-2-ylamino)-1-oxoethyl]amino]-3-(3,4-dimethylphenyl)thiourea IUPAC Name: 1-[[2-(1,3-benzothiazol-2-ylamino)acetyl]amino]-3-(3,4-dimethylphenyl)thiourea Traditional Name: 1-[[2-(1,3-benzothiazol-2-ylamino)acetyl]amino]-3-(3,4-dimethylphenyl)thiourea Formula: C18H19N5OS2 MolecularWeight: 385.50636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NNC(=O)CNC2=NC3=CC=CC=C3S2)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NNC(=O)CNC2=NC3=CC=CC=C3S2)C

InChI

InChI=1S/C18H19N5OS2/c1-11-7-8-13(9-12(11)2)20-17(25)23-22-16(24)10-19-18-21-14-5-3-4-6-15(14)26-18/h3-9H,10H2,1-2H3,(H,19,21)(H,22,24)(H2,20,23,25)