1-[3-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]propanoylamino]-3-phenyl-thiourea

Systemtic Name: 1-[3-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]propanoylamino]-3-phenyl-thiourea Openeye Name: 1-[3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propanoylamino]-3-phenyl-thiourea CAS Name: 1-[[3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-1-oxopropyl]amino]-3-phenylthiourea IUPAC Name: 1-[3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propanoylamino]-3-phenylthiourea Traditional Name: 1-[3-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]propanoylamino]-3-phenyl-thiourea Formula: C17H17N5O3S2 MolecularWeight: 403.47858

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=S)NNC(=O)CCNC2=NS(=O)(=O)C3=CC=CC=C32

Isomeric SMILES

C1=CC=C(C=C1)NC(=S)NNC(=O)CCNC2=NS(=O)(=O)C3=CC=CC=C32

InChI

InChI=1S/C17H17N5O3S2/c23-15(20-21-17(26)19-12-6-2-1-3-7-12)10-11-18-16-13-8-4-5-9-14(13)27(24,25)22-16/h1-9H,10-11H2,(H,18,22)(H,20,23)(H2,19,21,26)