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

Systemtic Name: 1-[3-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]propanoylamino]-3-pentyl-thiourea Openeye Name: 1-[3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propanoylamino]-3-pentyl-thiourea CAS Name: 1-[[3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-1-oxopropyl]amino]-3-pentylthiourea IUPAC Name: 1-[3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propanoylamino]-3-pentylthiourea Traditional Name: 1-amyl-3-[3-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]propanoylamino]thiourea Formula: C16H23N5O3S2 MolecularWeight: 397.51552

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=S)NNC(=O)CCNC1=NS(=O)(=O)C2=CC=CC=C21

Isomeric SMILES

CCCCCNC(=S)NNC(=O)CCNC1=NS(=O)(=O)C2=CC=CC=C21

InChI

InChI=1S/C16H23N5O3S2/c1-2-3-6-10-18-16(25)20-19-14(22)9-11-17-15-12-7-4-5-8-13(12)26(23,24)21-15/h4-5,7-8H,2-3,6,9-11H2,1H3,(H,17,21)(H,19,22)(H2,18,20,25)