1-[[(2S)-2-(1,3-benzothiazol-2-ylamino)propanoyl]amino]-3-ethyl-thiourea

Systemtic Name: 1-[[(2S)-2-(1,3-benzothiazol-2-ylamino)propanoyl]amino]-3-ethyl-thiourea Openeye Name: 1-[[(2S)-2-(1,3-benzothiazol-2-ylamino)propanoyl]amino]-3-ethyl-thiourea CAS Name: 1-[[(2S)-2-(1,3-benzothiazol-2-ylamino)-1-oxopropyl]amino]-3-ethylthiourea IUPAC Name: 1-[[(2S)-2-(1,3-benzothiazol-2-ylamino)propanoyl]amino]-3-ethylthiourea Traditional Name: 1-[[(2S)-2-(1,3-benzothiazol-2-ylamino)propanoyl]amino]-3-ethyl-thiourea Formula: C13H17N5OS2 MolecularWeight: 323.43698

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)NNC(=O)C(C)NC1=NC2=CC=CC=C2S1

Isomeric SMILES

CCNC(=S)NNC(=O)[C@H](C)NC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C13H17N5OS2/c1-3-14-12(20)18-17-11(19)8(2)15-13-16-9-6-4-5-7-10(9)21-13/h4-8H,3H2,1-2H3,(H,15,16)(H,17,19)(H2,14,18,20)/t8-/m0/s1