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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N5OS2/c24-16(12-20-18-21-14-8-4-5-9-15(14)26-18)22-23-17(25)19-11-10-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,20,21)(H,22,24)(H2,19,23,25)