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

Systemtic Name: 1-[2-(1,3-benzothiazol-2-ylamino)ethanoylamino]-3-(phenylmethyl)thiourea Openeye Name: 1-[[2-(1,3-benzothiazol-2-ylamino)acetyl]amino]-3-benzyl-thiourea CAS Name: 1-[[2-(1,3-benzothiazol-2-ylamino)-1-oxoethyl]amino]-3-(phenylmethyl)thiourea IUPAC Name: 1-[[2-(1,3-benzothiazol-2-ylamino)acetyl]amino]-3-benzylthiourea Traditional Name: 1-[[2-(1,3-benzothiazol-2-ylamino)acetyl]amino]-3-benzyl-thiourea Formula: C17H17N5OS2 MolecularWeight: 371.47978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N5OS2/c23-15(11-19-17-20-13-8-4-5-9-14(13)25-17)21-22-16(24)18-10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,19,20)(H,21,23)(H2,18,22,24)