1-[(E)-[4-(azepan-1-ylmethyl)thiophen-2-yl]methylideneamino]urea

Systemtic Name: 1-[(E)-[4-(azepan-1-ylmethyl)thiophen-2-yl]methylideneamino]urea Openeye Name: [(E)-[4-(azepan-1-ylmethyl)-2-thienyl]methyleneamino]urea CAS Name: [(E)-[4-(1-azepanylmethyl)-2-thiophenyl]methylideneamino]urea IUPAC Name: [(E)-[4-(azepan-1-ylmethyl)thiophen-2-yl]methylideneamino]urea Traditional Name: [(E)-[4-(azepan-1-ylmethyl)-2-thienyl]methyleneamino]urea Formula: C13H20N4OS MolecularWeight: 280.3891

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC2=CSC(=C2)C=NNC(=O)N

Isomeric SMILES

C1CCCN(CC1)CC2=CSC(=C2)/C=N/NC(=O)N

InChI

InChI=1S/C13H20N4OS/c14-13(18)16-15-8-12-7-11(10-19-12)9-17-5-3-1-2-4-6-17/h7-8,10H,1-6,9H2,(H3,14,16,18)/b15-8+